CID 3016102

39668-75-2

Structural Information

Molecular Formula
C13H25NO2
SMILES
CC1CCC(C(C1)C(=O)NCCO)C(C)C
InChI
InChI=1S/C13H25NO2/c1-9(2)11-5-4-10(3)8-12(11)13(16)14-6-7-15/h9-12,15H,4-8H2,1-3H3,(H,14,16)
InChIKey
QZYTXHHPGQLEDS-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

227.18852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 157.2
[M+Na]+ 250.177738 160.2
[M-H]- 226.181244 158.3
[M+NH4]+ 245.222343 174.4
[M+K]+ 266.151678 158.5
[M+H-H2O]+ 210.185780 151.3
[M+HCOO]- 272.186721 174.1
[M+CH3COO]- 286.202371 193.4
[M+Na-2H]- 248.163186 156.1
[M]+ 227.18797142 153.1
[M]- 227.18906858 153.1
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