CID 94879

2-butoxy-n-cyclohexylacetamide

Structural Information

Molecular Formula
C12H23NO2
SMILES
CCCCOCC(=O)NC1CCCCC1
InChI
InChI=1S/C12H23NO2/c1-2-3-9-15-10-12(14)13-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,13,14)
InChIKey
QSANILXNFGLBND-UHFFFAOYSA-N
Compound name
2-butoxy-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 152.7
[M+Na]+ 236.162098 154.8
[M-H]- 212.165604 154.5
[M+NH4]+ 231.206703 170.6
[M+K]+ 252.136038 153.6
[M+H-H2O]+ 196.170140 145.9
[M+HCOO]- 258.171081 172.5
[M+CH3COO]- 272.186731 189.7
[M+Na-2H]- 234.147546 155.2
[M]+ 213.17233142 150.0
[M]- 213.17342858 150.0
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