CID 79423036

2-(aminooxy)propanenitrile

Structural Information

Molecular Formula
C3H6N2O
SMILES
CC(C#N)ON
InChI
InChI=1S/C3H6N2O/c1-3(2-4)6-5/h3H,5H2,1H3
InChIKey
IIWLQRSHRAWFNC-UHFFFAOYSA-N
Compound name
2-aminooxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

86.04801 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 114.5
[M+Na]+ 109.037228 123.5
[M-H]- 85.040734 115.3
[M+NH4]+ 104.081833 135.5
[M+K]+ 125.011168 124.5
[M+H-H2O]+ 69.045270 103.6
[M+HCOO]- 131.046211 135.4
[M+CH3COO]- 145.061861 180.1
[M+Na-2H]- 107.022676 120.9
[M]+ 86.04746142 108.8
[M]- 86.04855858 108.8
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