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

127
Patents

100.06366 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 118.5
[M+Na]+ 123.05288 127.1
[M-H]- 99.056384 119.2
[M+NH4]+ 118.09748 139.0
[M+K]+ 139.02682 127.8
[M+H-H2O]+ 83.060920 107.4
[M+HCOO]- 145.06186 139.1
[M+CH3COO]- 159.07751 182.8
[M+Na-2H]- 121.03833 124.4
[M]+ 100.06311 113.1
[M]- 100.06421 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