CID 6445581

1-(3-dimethylaminopropylidene)-2,2-dimethylacenaphthene hydrogen fumarate

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]+ 266.19032 165.5
[M+Na]+ 288.17226 173.7
[M-H]- 264.17576 171.6
[M+NH4]+ 283.21686 189.2
[M+K]+ 304.14620 168.9
[M+H-H2O]+ 248.18030 159.0
[M+HCOO]- 310.18124 187.4
[M+CH3COO]- 324.19689 207.5
[M+Na-2H]- 286.15771 169.7
[M]+ 265.18249 168.6
[M]- 265.18359 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.