CID 20064

Ethyl carbazate

Structural Information

Molecular Formula
C3H8N2O2
SMILES
CCOC(=O)NN
InChI
InChI=1S/C3H8N2O2/c1-2-7-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKey
VYSYZMNJHYOXGN-UHFFFAOYSA-N
Compound name
ethyl N-aminocarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

4562
Patents

104.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.06586 118.7
[M+Na]+ 127.04780 125.6
[M-H]- 103.05130 119.0
[M+NH4]+ 122.09240 140.9
[M+K]+ 143.02174 126.4
[M+H-H2O]+ 87.055840 113.7
[M+HCOO]- 149.05678 144.5
[M+CH3COO]- 163.07243 169.6
[M+Na-2H]- 125.03325 125.3
[M]+ 104.05803 117.5
[M]- 104.05913 117.5
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