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]+ 244.190716 159.9
[M+Na]+ 266.172658 162.7
[M-H]- 242.176164 160.9
[M+NH4]+ 261.217263 176.5
[M+K]+ 282.146598 161.5
[M+H-H2O]+ 226.180700 154.1
[M+HCOO]- 288.181641 176.6
[M+CH3COO]- 302.197291 192.5
[M+Na-2H]- 264.158106 161.8
[M]+ 243.18289142 157.0
[M]- 243.18398858 157.0
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