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]+ 205.13355 141.7
[M+Na]+ 227.11549 150.0
[M-H]- 203.11899 149.1
[M+NH4]+ 222.16009 155.5
[M+K]+ 243.08943 146.1
[M+H-H2O]+ 187.12353 135.0
[M+HCOO]- 249.12447 166.7
[M+CH3COO]- 263.14012 194.5
[M+Na-2H]- 225.10094 146.2
[M]+ 204.12572 142.4
[M]- 204.12682 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.