CID 22106786

Tert-butyl n-{[2-(hydroxymethyl)cyclohexyl]methyl}carbamate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)OC(=O)NCC1CCCCC1CO
InChI
InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-8-10-6-4-5-7-11(10)9-15/h10-11,15H,4-9H2,1-3H3,(H,14,16)
InChIKey
VCIBBCGSWUMTGW-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(hydroxymethyl)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 159.0
[M+Na]+ 266.17266 165.9
[M+NH4]+ 261.21726 165.2
[M+K]+ 282.14660 162.0
[M-H]- 242.17616 158.8
[M+Na-2H]- 264.15811 161.0
[M]+ 243.18289 159.5
[M]- 243.18399 159.5
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