CID 84221363

1785077-92-0

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1C(CN1)(C#N)O
InChI
InChI=1S/C4H6N2O/c5-1-4(7)2-6-3-4/h6-7H,2-3H2
InChIKey
UANYAJXOOSFGOM-UHFFFAOYSA-N
Compound name
3-hydroxyazetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

98.04801 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.6
[M+Na]+ 121.03723 122.6
[M-H]- 97.040734 114.9
[M+NH4]+ 116.08183 129.0
[M+K]+ 137.01117 124.8
[M+H-H2O]+ 81.045270 99.8
[M+HCOO]- 143.04621 130.5
[M+CH3COO]- 157.06186 177.1
[M+Na-2H]- 119.02268 122.4
[M]+ 98.047461 114.2
[M]- 98.048559 114.2
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.