CID 77491

Ethyl n,n-bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C5H11NO4
SMILES
CCOC(=O)N(CO)CO
InChI
InChI=1S/C5H11NO4/c1-2-10-5(9)6(3-7)4-8/h7-8H,2-4H2,1H3
InChIKey
UPOVSWVIQVHMOK-UHFFFAOYSA-N
Compound name
ethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

149.0688 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.076076 130.1
[M+Na]+ 172.058018 136.2
[M-H]- 148.061524 129.1
[M+NH4]+ 167.102623 150.3
[M+K]+ 188.031958 137.5
[M+H-H2O]+ 132.066060 125.0
[M+HCOO]- 194.067001 152.9
[M+CH3COO]- 208.082651 173.9
[M+Na-2H]- 170.043466 134.8
[M]+ 149.06825142 131.8
[M]- 149.06934858 131.8
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