CID 82019

Thanol c 150

Structural Information

Molecular Formula
C5H11NO4
SMILES
C(CO)NC(=O)OCCO
InChI
InChI=1S/C5H11NO4/c7-2-1-6-5(9)10-4-3-8/h7-8H,1-4H2,(H,6,9)
InChIKey
RUJZRPIQXVTWCD-UHFFFAOYSA-N
Compound name
2-hydroxyethyl N-(2-hydroxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

50
Patents

149.0688 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.076076 130.1
[M+Na]+ 172.058018 136.0
[M-H]- 148.061524 127.6
[M+NH4]+ 167.102623 149.6
[M+K]+ 188.031958 135.9
[M+H-H2O]+ 132.066060 125.1
[M+HCOO]- 194.067001 152.3
[M+CH3COO]- 208.082651 170.4
[M+Na-2H]- 170.043466 135.5
[M]+ 149.06825142 130.6
[M]- 149.06934858 130.6
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