CID 5066654

23742-31-6

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1=CC(=C(C=C1)NC(=O)C2CC2)C
InChI
InChI=1S/C12H15NO/c1-8-3-6-11(9(2)7-8)13-12(14)10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H,13,14)
InChIKey
XYHRCYGMNNAJTQ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 138.8
[M+Na]+ 212.104588 148.0
[M-H]- 188.108094 146.9
[M+NH4]+ 207.149193 153.9
[M+K]+ 228.078528 144.7
[M+H-H2O]+ 172.112630 132.4
[M+HCOO]- 234.113571 163.5
[M+CH3COO]- 248.129221 190.3
[M+Na-2H]- 210.090036 144.0
[M]+ 189.11482142 141.1
[M]- 189.11591858 141.1
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