CID 79338252

2171815-27-1

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CCNC(=O)OC1CNC1
InChI
InChI=1S/C6H12N2O2/c1-2-8-6(9)10-5-3-7-4-5/h5,7H,2-4H2,1H3,(H,8,9)
InChIKey
LRWYTBLXDHLWQW-UHFFFAOYSA-N
Compound name
azetidin-3-yl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

144.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.7
[M+Na]+ 167.07909 135.7
[M-H]- 143.08259 132.1
[M+NH4]+ 162.12369 144.1
[M+K]+ 183.05303 138.4
[M+H-H2O]+ 127.08713 120.0
[M+HCOO]- 189.08807 151.5
[M+CH3COO]- 203.10372 176.1
[M+Na-2H]- 165.06454 136.6
[M]+ 144.08932 137.8
[M]- 144.09042 137.8
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