CID 5579

M-trimethylammonium aniline

Structural Information

Molecular Formula
C9H15N2
SMILES
C[N+](C)(C)C1=CC=CC(=C1)N
InChI
InChI=1S/C9H15N2/c1-11(2,3)9-6-4-5-8(10)7-9/h4-7H,10H2,1-3H3/q+1
InChIKey
LMLUMAXYHUEBJH-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

49
Patents

151.12352 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.130796 128.6
[M+Na]+ 174.112738 136.1
[M-H]- 150.116244 133.9
[M+NH4]+ 169.157343 150.1
[M+K]+ 190.086678 129.4
[M+H-H2O]+ 134.120780 126.1
[M+HCOO]- 196.121721 154.2
[M+CH3COO]- 210.137371 177.7
[M+Na-2H]- 172.098186 139.3
[M]+ 151.12297142 126.2
[M]- 151.12406858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe