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

5
Patents

257.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.20638 164.3
[M+Na]+ 280.18832 166.0
[M-H]- 256.19182 166.3
[M+NH4]+ 275.23292 180.7
[M+K]+ 296.16226 165.9
[M+H-H2O]+ 240.19636 158.0
[M+HCOO]- 302.19730 181.3
[M+CH3COO]- 316.21295 197.7
[M+Na-2H]- 278.17377 165.7
[M]+ 257.19855 162.7
[M]- 257.19965 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