CID 24693537

N-(3-amino-4-methylphenyl)cyclopropanecarboxamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2CC2)N
InChI
InChI=1S/C11H14N2O/c1-7-2-5-9(6-10(7)12)13-11(14)8-3-4-8/h2,5-6,8H,3-4,12H2,1H3,(H,13,14)
InChIKey
FUCQTJFDLUJCRG-UHFFFAOYSA-N
Compound name
N-(3-amino-4-methylphenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

190.11061 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 137.5
[M+Na]+ 213.09983 146.2
[M-H]- 189.10333 145.0
[M+NH4]+ 208.14443 151.9
[M+K]+ 229.07377 142.5
[M+H-H2O]+ 173.10787 131.0
[M+HCOO]- 235.10881 162.8
[M+CH3COO]- 249.12446 191.6
[M+Na-2H]- 211.08528 142.5
[M]+ 190.11006 137.8
[M]- 190.11116 137.8
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