CID 46898982

Schembl2578776

Structural Information

Molecular Formula
C13H25NO2
SMILES
CCCCNC(=O)OC1CCCC(C1C)C
InChI
InChI=1S/C13H25NO2/c1-4-5-9-14-13(15)16-12-8-6-7-10(2)11(12)3/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKey
NRBLABNDLCTIGX-UHFFFAOYSA-N
Compound name
(2,3-dimethylcyclohexyl) N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

227.18852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.19580 156.6
[M+Na]+ 250.17774 160.3
[M-H]- 226.18124 159.1
[M+NH4]+ 245.22234 174.8
[M+K]+ 266.15168 159.0
[M+H-H2O]+ 210.18578 150.3
[M+HCOO]- 272.18672 176.1
[M+CH3COO]- 286.20237 194.4
[M+Na-2H]- 248.16319 157.3
[M]+ 227.18797 155.1
[M]- 227.18907 155.1
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