CID 85905850

Methyl 3-amino-3-cyano-2,2-dimethylpropanoate hydrochloride

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C)(C(C#N)N)C(=O)OC
InChI
InChI=1S/C7H12N2O2/c1-7(2,5(9)4-8)6(10)11-3/h5H,9H2,1-3H3
InChIKey
NZPCOKZCZCBZCV-UHFFFAOYSA-N
Compound name
methyl 3-amino-3-cyano-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

156.08987 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 136.9
[M+Na]+ 179.079088 144.7
[M-H]- 155.082594 137.4
[M+NH4]+ 174.123693 155.3
[M+K]+ 195.053028 145.5
[M+H-H2O]+ 139.087130 125.7
[M+HCOO]- 201.088071 154.6
[M+CH3COO]- 215.103721 192.4
[M+Na-2H]- 177.064536 140.4
[M]+ 156.08932142 131.9
[M]- 156.09041858 131.9
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

No patent data available for this compound.