CID 304852

2-cyano-n-(3,3,5-trimethylcyclohexyl)acetamide

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC1CC(CC(C1)(C)C)NC(=O)CC#N
InChI
InChI=1S/C12H20N2O/c1-9-6-10(8-12(2,3)7-9)14-11(15)4-5-13/h9-10H,4,6-8H2,1-3H3,(H,14,15)
InChIKey
DOQDNMZNLGZKFI-UHFFFAOYSA-N
Compound name
2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

208.15756 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 148.2
[M+Na]+ 231.146778 156.0
[M-H]- 207.150284 151.5
[M+NH4]+ 226.191383 167.2
[M+K]+ 247.120718 152.9
[M+H-H2O]+ 191.154820 137.1
[M+HCOO]- 253.155761 164.9
[M+CH3COO]- 267.171411 202.0
[M+Na-2H]- 229.132226 150.9
[M]+ 208.15701142 140.7
[M]- 208.15810858 140.7
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

No patent data available for this compound.