CID 53397680

Tert-butyl n-[3-hydroxy-2-(2-methylpropyl)propyl]carbamate

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C)CC(CNC(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H25NO3/c1-9(2)6-10(8-14)7-13-11(15)16-12(3,4)5/h9-10,14H,6-8H2,1-5H3,(H,13,15)
InChIKey
WCYJANVXBIHYCS-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(hydroxymethyl)-4-methylpentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 159.3
[M+Na]+ 254.17266 162.9
[M-H]- 230.17616 157.6
[M+NH4]+ 249.21726 176.5
[M+K]+ 270.14660 163.0
[M+H-H2O]+ 214.18070 154.2
[M+HCOO]- 276.18164 177.1
[M+CH3COO]- 290.19729 193.5
[M+Na-2H]- 252.15811 159.9
[M]+ 231.18289 161.1
[M]- 231.18399 161.1
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

No patent data available for this compound.