CID 14918440

N,2,5-trimethylaniline hydrochloride

Structural Information

Molecular Formula
C9H13N
SMILES
CC1=CC(=C(C=C1)C)NC
InChI
InChI=1S/C9H13N/c1-7-4-5-8(2)9(6-7)10-3/h4-6,10H,1-3H3
InChIKey
FLLXIDNFXBLBMT-UHFFFAOYSA-N
Compound name
N,2,5-trimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

135.1048 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 126.8
[M+Na]+ 158.09402 135.4
[M-H]- 134.09752 131.2
[M+NH4]+ 153.13862 149.2
[M+K]+ 174.06796 133.5
[M+H-H2O]+ 118.10206 121.6
[M+HCOO]- 180.10300 152.5
[M+CH3COO]- 194.11865 178.4
[M+Na-2H]- 156.07947 134.1
[M]+ 135.10425 126.8
[M]- 135.10535 126.8
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