CID 3016622

N-ethyl-1-isopropylcyclohexanecarboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 149.5
[M+Na]+ 220.167178 152.4
[M-H]- 196.170684 151.9
[M+NH4]+ 215.211783 170.2
[M+K]+ 236.141118 151.6
[M+H-H2O]+ 180.175220 144.2
[M+HCOO]- 242.176161 168.1
[M+CH3COO]- 256.191811 188.1
[M+Na-2H]- 218.152626 152.0
[M]+ 197.17741142 145.1
[M]- 197.17850858 145.1
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