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

1
Patents

213.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 152.7
[M+Na]+ 236.16210 154.8
[M-H]- 212.16560 154.5
[M+NH4]+ 231.20670 170.6
[M+K]+ 252.13604 153.6
[M+H-H2O]+ 196.17014 145.9
[M+HCOO]- 258.17108 172.5
[M+CH3COO]- 272.18673 189.7
[M+Na-2H]- 234.14755 155.2
[M]+ 213.17233 150.0
[M]- 213.17343 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