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

5
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]+ 121.037228 118.0
[M-H]- 97.040734 111.2
[M+NH4]+ 116.081833 123.4
[M+K]+ 137.011168 121.7
[M+H-H2O]+ 81.045270 94.0
[M+HCOO]- 143.046211 127.1
[M+CH3COO]- 157.061861 180.8
[M+Na-2H]- 119.022676 116.9
[M]+ 98.04746142 111.2
[M]- 98.04855858 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