CID 27135

Nitrosoazetidine

Structural Information

Molecular Formula
C3H6N2O
SMILES
C1CN(C1)N=O
InChI
InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2
InChIKey
SNKTZBNDUVWOAZ-UHFFFAOYSA-N
Compound name
1-nitrosoazetidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

19
Patents

86.04801 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 113.5
[M+Na]+ 109.03723 119.8
[M+NH4]+ 104.08183 118.1
[M+K]+ 125.01117 116.7
[M-H]- 85.040734 112.1
[M+Na-2H]- 107.02268 117.3
[M]+ 86.047461 112.5
[M]- 86.048559 112.5
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