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
3
Annotation Hits

2
References

28
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 109.6
[M+Na]+ 109.03723 116.2
[M-H]- 85.040734 113.3
[M+NH4]+ 104.08183 125.9
[M+K]+ 125.01117 120.5
[M+H-H2O]+ 69.045270 98.7
[M+HCOO]- 131.04621 134.3
[M+CH3COO]- 145.06186 171.0
[M+Na-2H]- 107.02268 119.0
[M]+ 86.047461 117.9
[M]- 86.048559 117.9
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

No patent data available for this compound.