CID 3016106

2-(isopropyl)-n,5-dimethylcyclohexanecarboxamide

Structural Information

Molecular Formula
C12H23NO
SMILES
CC1CCC(C(C1)C(=O)NC)C(C)C
InChI
InChI=1S/C12H23NO/c1-8(2)10-6-5-9(3)7-11(10)12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKey
COUUXWBCHWHELF-UHFFFAOYSA-N
Compound name
N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

197.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.185236 148.9
[M+Na]+ 220.167178 152.8
[M-H]- 196.170684 151.7
[M+NH4]+ 215.211783 168.2
[M+K]+ 236.141118 151.7
[M+H-H2O]+ 180.175220 143.2
[M+HCOO]- 242.176161 167.5
[M+CH3COO]- 256.191811 190.9
[M+Na-2H]- 218.152626 148.9
[M]+ 197.17741142 144.9
[M]- 197.17850858 144.9
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