CID 16783127

3-amino-n-(cyclopropylmethyl)-4-methylbenzamide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C=C(C=C1)C(=O)NCC2CC2)N
InChI
InChI=1S/C12H16N2O/c1-8-2-5-10(6-11(8)13)12(15)14-7-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
InChIKey
TXLSMABMMPHUCH-UHFFFAOYSA-N
Compound name
3-amino-N-(cyclopropylmethyl)-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 141.7
[M+Na]+ 227.115488 150.0
[M-H]- 203.118994 149.1
[M+NH4]+ 222.160093 155.5
[M+K]+ 243.089428 146.1
[M+H-H2O]+ 187.123530 135.0
[M+HCOO]- 249.124471 166.7
[M+CH3COO]- 263.140121 194.5
[M+Na-2H]- 225.100936 146.2
[M]+ 204.12572142 142.4
[M]- 204.12681858 142.4
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.