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]+ 210.09722 143.9
[M+Na]+ 232.07916 148.4
[M-H]- 208.08266 141.0
[M+NH4]+ 227.12376 160.7
[M+K]+ 248.05310 149.5
[M+H-H2O]+ 192.08720 138.0
[M+HCOO]- 254.08814 164.9
[M+CH3COO]- 268.10379 181.8
[M+Na-2H]- 230.06461 147.2
[M]+ 209.08939 147.3
[M]- 209.09049 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.