CID 25005

2-methoxyethyl bis(hydroxymethyl)carbamate

Structural Information

Molecular Formula
C6H13NO5
SMILES
COCCOC(=O)N(CO)CO
InChI
InChI=1S/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3
InChIKey
SKJLIATVTKHMNL-UHFFFAOYSA-N
Compound name
2-methoxyethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

72
Patents

179.07938 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.086656 136.8
[M+Na]+ 202.068598 142.5
[M-H]- 178.072104 135.7
[M+NH4]+ 197.113203 155.7
[M+K]+ 218.042538 144.0
[M+H-H2O]+ 162.076640 131.3
[M+HCOO]- 224.077581 159.5
[M+CH3COO]- 238.093231 179.0
[M+Na-2H]- 200.054046 141.1
[M]+ 179.07883142 140.4
[M]- 179.07992858 140.4
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