CID 16788209

3-methyl-2-(pyrrolidine-1-carbonyl)aniline

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C(=CC=C1)N)C(=O)N2CCCC2
InChI
InChI=1S/C12H16N2O/c1-9-5-4-6-10(13)11(9)12(15)14-7-2-3-8-14/h4-6H,2-3,7-8,13H2,1H3
InChIKey
JUKKTGWRRBWPNF-UHFFFAOYSA-N
Compound name
(2-amino-6-methylphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.7
[M+Na]+ 227.115488 153.1
[M-H]- 203.118994 151.6
[M+NH4]+ 222.160093 165.7
[M+K]+ 243.089428 150.2
[M+H-H2O]+ 187.123530 139.4
[M+HCOO]- 249.124471 168.2
[M+CH3COO]- 263.140121 187.0
[M+Na-2H]- 225.100936 148.1
[M]+ 204.12572142 142.6
[M]- 204.12681858 142.6
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

patents stripe