CID 15375

2-methoxyethyl carbamate

Structural Information

Molecular Formula
C4H9NO3
SMILES
COCCOC(=O)N
InChI
InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
QAQJKDRAJZWQCM-UHFFFAOYSA-N
Compound name
2-methoxyethyl carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

995
Patents

119.05824 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 121.9
[M+Na]+ 142.047458 129.2
[M-H]- 118.050964 122.0
[M+NH4]+ 137.092063 143.9
[M+K]+ 158.021398 130.3
[M+H-H2O]+ 102.055500 117.1
[M+HCOO]- 164.056441 146.7
[M+CH3COO]- 178.072091 170.4
[M+Na-2H]- 140.032906 127.9
[M]+ 119.05769142 123.5
[M]- 119.05878858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe