CID 108032

Vinyl carbamate epoxide

Structural Information

Molecular Formula
C3H5NO3
SMILES
C1C(O1)OC(=O)N
InChI
InChI=1S/C3H5NO3/c4-3(5)7-2-1-6-2/h2H,1H2,(H2,4,5)
InChIKey
PSNIYGKWARCUAN-UHFFFAOYSA-N
Compound name
oxiran-2-yl carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

4
Patents

103.02694 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 116.9
[M+Na]+ 126.016158 126.7
[M-H]- 102.019664 122.4
[M+NH4]+ 121.060763 133.4
[M+K]+ 141.990098 127.2
[M+H-H2O]+ 86.024200 111.2
[M+HCOO]- 148.025141 141.3
[M+CH3COO]- 162.040791 169.7
[M+Na-2H]- 124.001606 125.1
[M]+ 103.02639142 120.2
[M]- 103.02748858 120.2
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