CID 60756860

Cyclopropane carboxylic acid (2-isopropyl-5-methyl cyclohexyl) amide

Structural Information

Molecular Formula
C14H25NO
SMILES
CC1CCC(C(C1)NC(=O)C2CC2)C(C)C
InChI
InChI=1S/C14H25NO/c1-9(2)12-7-4-10(3)8-13(12)15-14(16)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,15,16)
InChIKey
MQNYSPJVIUCDEG-UHFFFAOYSA-N
Compound name
N-(5-methyl-2-propan-2-ylcyclohexyl)cyclopropanecarboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

160
Patents

223.19362 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 151.6
[M+Na]+ 246.18284 156.7
[M-H]- 222.18634 158.2
[M+NH4]+ 241.22744 165.0
[M+K]+ 262.15678 154.0
[M+H-H2O]+ 206.19088 145.0
[M+HCOO]- 268.19182 170.2
[M+CH3COO]- 282.20747 198.1
[M+Na-2H]- 244.16829 151.7
[M]+ 223.19307 149.9
[M]- 223.19417 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe