CID 22397310

Cyclohexyl-(3-hydroxy-propyl)-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C14H27NO3
SMILES
CC(C)(C)OC(=O)N(CCCO)C1CCCCC1
InChI
InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)15(10-7-11-16)12-8-5-4-6-9-12/h12,16H,4-11H2,1-3H3
InChIKey
CYUODDDPZDWKFV-UHFFFAOYSA-N
Compound name
tert-butyl N-cyclohexyl-N-(3-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

257.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.206376 164.3
[M+Na]+ 280.188318 166.0
[M-H]- 256.191824 166.3
[M+NH4]+ 275.232923 180.7
[M+K]+ 296.162258 165.9
[M+H-H2O]+ 240.196360 158.0
[M+HCOO]- 302.197301 181.3
[M+CH3COO]- 316.212951 197.7
[M+Na-2H]- 278.173766 165.7
[M]+ 257.19855142 162.7
[M]- 257.19964858 162.7
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