CID 23167053

2-amino-3-methoxypropanenitrile hydrochloride

Structural Information

Molecular Formula
C4H8N2O
SMILES
COCC(C#N)N
InChI
InChI=1S/C4H8N2O/c1-7-3-4(6)2-5/h4H,3,6H2,1H3
InChIKey
RPGPPCHMKDWLRT-UHFFFAOYSA-N
Compound name
2-amino-3-methoxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

100.06366 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 118.5
[M+Na]+ 123.052878 127.1
[M-H]- 99.056384 119.2
[M+NH4]+ 118.097483 139.0
[M+K]+ 139.026818 127.8
[M+H-H2O]+ 83.060920 107.4
[M+HCOO]- 145.061861 139.1
[M+CH3COO]- 159.077511 182.8
[M+Na-2H]- 121.038326 124.4
[M]+ 100.06311142 113.1
[M]- 100.06420858 113.1
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