CID 3085479

Carbamic acid, n,n-bis(hydroxymethyl)-, 2-(2-hydroxyethoxy)ethyl ester

Structural Information

Molecular Formula
C7H15NO6
SMILES
C(COCCOC(=O)N(CO)CO)O
InChI
InChI=1S/C7H15NO6/c9-1-2-13-3-4-14-7(12)8(5-10)6-11/h9-11H,1-6H2
InChIKey
QDHBHMYSYXWUAS-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08994 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.097216 143.9
[M+Na]+ 232.079158 148.4
[M-H]- 208.082664 141.0
[M+NH4]+ 227.123763 160.7
[M+K]+ 248.053098 149.5
[M+H-H2O]+ 192.087200 138.0
[M+HCOO]- 254.088141 164.9
[M+CH3COO]- 268.103791 181.8
[M+Na-2H]- 230.064606 147.2
[M]+ 209.08939142 147.3
[M]- 209.09048858 147.3
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

No patent data available for this compound.