CID 3019942

4-hydroxybutyl carbamate

Structural Information

Molecular Formula
C5H11NO3
SMILES
C(CCOC(=O)N)CO
InChI
InChI=1S/C5H11NO3/c6-5(8)9-4-2-1-3-7/h7H,1-4H2,(H2,6,8)
InChIKey
LMUUYCHNLMKVFR-UHFFFAOYSA-N
Compound name
4-hydroxybutyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

452
Patents

133.0739 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.3
[M+Na]+ 156.063118 133.7
[M-H]- 132.066624 125.7
[M+NH4]+ 151.107723 147.9
[M+K]+ 172.037058 133.6
[M+H-H2O]+ 116.071160 122.4
[M+HCOO]- 178.072101 150.2
[M+CH3COO]- 192.087751 170.9
[M+Na-2H]- 154.048566 132.2
[M]+ 133.07335142 127.3
[M]- 133.07444858 127.3
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