CID 3016621

1-isopropyl-n,n-dimethylcyclohexanecarboxamide

Structural Information

Molecular Formula
C12H23NO
SMILES
CC(C)C1(CCCCC1)C(=O)N(C)C
InChI
InChI=1S/C12H23NO/c1-10(2)12(11(14)13(3)4)8-6-5-7-9-12/h10H,5-9H2,1-4H3
InChIKey
JXBUDYOESYSPGK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.17796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.185236 148.7
[M+Na]+ 220.167178 151.8
[M-H]- 196.170684 152.6
[M+NH4]+ 215.211783 170.0
[M+K]+ 236.141118 152.4
[M+H-H2O]+ 180.175220 143.3
[M+HCOO]- 242.176161 167.8
[M+CH3COO]- 256.191811 191.6
[M+Na-2H]- 218.152626 150.5
[M]+ 197.17741142 145.5
[M]- 197.17850858 145.5
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