CID 294850

Ethyl 1-(hydroxymethyl)-propylcarbamate

Structural Information

Molecular Formula
C7H15NO3
SMILES
CCC(CO)NC(=O)OCC
InChI
InChI=1S/C7H15NO3/c1-3-6(5-9)8-7(10)11-4-2/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKey
NWXGDPDBQOTZRZ-UHFFFAOYSA-N
Compound name
ethyl N-(1-hydroxybutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

161.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.112476 136.9
[M+Na]+ 184.094418 142.4
[M-H]- 160.097924 135.7
[M+NH4]+ 179.139023 156.8
[M+K]+ 200.068358 142.6
[M+H-H2O]+ 144.102460 131.8
[M+HCOO]- 206.103401 158.9
[M+CH3COO]- 220.119051 177.8
[M+Na-2H]- 182.079866 140.5
[M]+ 161.10465142 138.0
[M]- 161.10574858 138.0
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