CID 5066654

2',4'-dimethyl-1-cyclopropanecarboxanilide

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]+ 190.12265 138.8
[M+Na]+ 212.10459 148.0
[M-H]- 188.10809 146.9
[M+NH4]+ 207.14919 153.9
[M+K]+ 228.07853 144.7
[M+H-H2O]+ 172.11263 132.4
[M+HCOO]- 234.11357 163.5
[M+CH3COO]- 248.12922 190.3
[M+Na-2H]- 210.09004 144.0
[M]+ 189.11482 141.1
[M]- 189.11592 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