CID 6445581

1-propanamine, n,n-dimethyl-3-(2,2-dimethyl-1(2h)-acenaphthylenylidene)-, (e)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C19H23N
SMILES
CC\1(C2=CC=CC3=C2C(=CC=C3)/C1=C\CCN(C)C)C
InChI
InChI=1S/C19H23N/c1-19(2)16(12-7-13-20(3)4)15-10-5-8-14-9-6-11-17(19)18(14)15/h5-6,8-12H,7,13H2,1-4H3/b16-12+
InChIKey
WBKMOLZAYVZAKS-FOWTUZBSSA-N
Compound name
(3Z)-3-(2,2-dimethylacenaphthylen-1-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.190316 165.5
[M+Na]+ 288.172258 173.7
[M-H]- 264.175764 171.6
[M+NH4]+ 283.216863 189.2
[M+K]+ 304.146198 168.9
[M+H-H2O]+ 248.180300 159.0
[M+HCOO]- 310.181241 187.4
[M+CH3COO]- 324.196891 207.5
[M+Na-2H]- 286.157706 169.7
[M]+ 265.18249142 168.6
[M]- 265.18358858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.