CID 85943953

1-nitrosoazetidin-3-ol

Structural Information

Molecular Formula
C3H6N2O2
SMILES
C1C(CN1N=O)O
InChI
InChI=1S/C3H6N2O2/c6-3-1-5(2-3)4-7/h3,6H,1-2H2
InChIKey
YDFUHBCPYVDZOS-UHFFFAOYSA-N
Compound name
1-nitrosoazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

102.04293 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05021 113.9
[M+Na]+ 125.03215 120.7
[M-H]- 101.03565 116.5
[M+NH4]+ 120.07675 129.0
[M+K]+ 141.00609 124.5
[M+H-H2O]+ 85.040190 103.1
[M+HCOO]- 147.04113 137.2
[M+CH3COO]- 161.05678 171.4
[M+Na-2H]- 123.01760 121.8
[M]+ 102.04238 122.0
[M]- 102.04348 122.0
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