CID 5459343

Nsc-97885

Structural Information

Molecular Formula
C13H21N2
SMILES
CC1=C(C=C(C=C1)/C(=N/[N+](C)(C)C)/C)C
InChI
InChI=1S/C13H21N2/c1-10-7-8-13(9-11(10)2)12(3)14-15(4,5)6/h7-9H,1-6H3/q+1/b14-12+
InChIKey
MAEVSQFHGKHDDI-WYMLVPIESA-N
Compound name
[(E)-1-(3,4-dimethylphenyl)ethylideneamino]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

205.17047 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.17775 144.7
[M+Na]+ 228.15969 152.0
[M-H]- 204.16319 151.8
[M+NH4]+ 223.20429 165.3
[M+K]+ 244.13363 145.5
[M+H-H2O]+ 188.16773 141.5
[M+HCOO]- 250.16867 170.2
[M+CH3COO]- 264.18432 193.5
[M+Na-2H]- 226.14514 153.0
[M]+ 205.16992 145.6
[M]- 205.17102 145.6
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.