CID 85539

16672-70-1

Structural Information

Molecular Formula
C4H9NO4
SMILES
C(COC(=O)NCO)O
InChI
InChI=1S/C4H9NO4/c6-1-2-9-4(8)5-3-7/h6-7H,1-3H2,(H,5,8)
InChIKey
NHWYGOGAJKUGIY-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

135.05316 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.060436 125.5
[M+Na]+ 158.042378 131.9
[M-H]- 134.045884 123.2
[M+NH4]+ 153.086983 145.6
[M+K]+ 174.016318 132.0
[M+H-H2O]+ 118.050420 120.7
[M+HCOO]- 180.051361 148.1
[M+CH3COO]- 194.067011 167.4
[M+Na-2H]- 156.027826 131.5
[M]+ 135.05261142 125.6
[M]- 135.05370858 125.6
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.