CID 82522

2-hydroxyethyl bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C5H11NO5
SMILES
C(COC(=O)N(CO)CO)O
InChI
InChI=1S/C5H11NO5/c7-1-2-11-5(10)6(3-8)4-9/h7-9H,1-4H2
InChIKey
NFZKOWUWFGTZQQ-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

165.06372 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.070996 132.9
[M+Na]+ 188.052938 138.5
[M-H]- 164.056444 130.4
[M+NH4]+ 183.097543 151.6
[M+K]+ 204.026878 139.4
[M+H-H2O]+ 148.060980 127.7
[M+HCOO]- 210.061921 154.3
[M+CH3COO]- 224.077571 173.5
[M+Na-2H]- 186.038386 137.1
[M]+ 165.06317142 134.1
[M]- 165.06426858 134.1
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

patents stripe