CID 9942126

3-hydroxyazetidine-1-carbonitrile

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1C(CN1C#N)O
InChI
InChI=1S/C4H6N2O/c5-3-6-1-4(7)2-6/h4,7H,1-2H2
InChIKey
VIAULTBEPNVQAG-UHFFFAOYSA-N
Compound name
3-hydroxyazetidine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

98.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 109.9
[M+Na]+ 121.03723 118.0
[M-H]- 97.040734 111.2
[M+NH4]+ 116.08183 123.4
[M+K]+ 137.01117 121.7
[M+H-H2O]+ 81.045270 94.0
[M+HCOO]- 143.04621 127.1
[M+CH3COO]- 157.06186 180.8
[M+Na-2H]- 119.02268 116.9
[M]+ 98.047461 111.2
[M]- 98.048559 111.2
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

patents stripe