CID 80493933

3-aminooxetane-3-carbonitrile hydrochloride

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1C(CO1)(C#N)N
InChI
InChI=1S/C4H6N2O/c5-1-4(6)2-7-3-4/h2-3,6H2
InChIKey
RFOKQRIAAPEYBE-UHFFFAOYSA-N
Compound name
3-aminooxetane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

98.04801 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 111.5
[M+Na]+ 121.037228 119.5
[M-H]- 97.040734 115.6
[M+NH4]+ 116.081833 126.8
[M+K]+ 137.011168 123.9
[M+H-H2O]+ 81.045270 96.7
[M+HCOO]- 143.046211 130.7
[M+CH3COO]- 157.061861 183.0
[M+Na-2H]- 119.022676 120.6
[M]+ 98.04746142 113.0
[M]- 98.04855858 113.0
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