CID 5641

Urethane

Structural Information

Molecular Formula
C3H7NO2
SMILES
CCOC(=O)N
InChI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
JOYRKODLDBILNP-UHFFFAOYSA-N
Compound name
ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

7049
References

150756
Patents

89.047676 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 114.7
[M+Na]+ 112.03689 124.0
[M+NH4]+ 107.08150 122.4
[M+K]+ 128.01083 120.2
[M-H]- 88.040400 114.0
[M+Na-2H]- 110.02234 118.4
[M]+ 89.047127 115.4
[M]- 89.048225 115.4
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