CID 20774360

5-amino-4,4-dimethylpentanenitrile

Structural Information

Molecular Formula
C7H14N2
SMILES
CC(C)(CCC#N)CN
InChI
InChI=1S/C7H14N2/c1-7(2,6-9)4-3-5-8/h3-4,6,9H2,1-2H3
InChIKey
DOTRITKLFCDSOA-UHFFFAOYSA-N
Compound name
5-amino-4,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

126.1157 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.122976 130.3
[M+Na]+ 149.104918 138.4
[M-H]- 125.108424 130.8
[M+NH4]+ 144.149523 150.1
[M+K]+ 165.078858 138.0
[M+H-H2O]+ 109.112960 119.5
[M+HCOO]- 171.113901 149.2
[M+CH3COO]- 185.129551 188.7
[M+Na-2H]- 147.090366 136.2
[M]+ 126.11515142 124.7
[M]- 126.11624858 124.7
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