CID 10419137

2-amino-3-methylbutanenitrile

Structural Information

Molecular Formula
C5H10N2
SMILES
CC(C)C(C#N)N
InChI
InChI=1S/C5H10N2/c1-4(2)5(7)3-6/h4-5H,7H2,1-2H3
InChIKey
ZMMPZEFSSVTIIW-UHFFFAOYSA-N
Compound name
2-amino-3-methylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

98.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 122.0
[M+Na]+ 121.073618 130.1
[M-H]- 97.077124 122.6
[M+NH4]+ 116.118223 142.5
[M+K]+ 137.047558 130.4
[M+H-H2O]+ 81.081660 111.0
[M+HCOO]- 143.082601 141.1
[M+CH3COO]- 157.098251 184.5
[M+Na-2H]- 119.059066 126.1
[M]+ 98.08385142 115.0
[M]- 98.08494858 115.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe