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]+ 127.12298 130.3
[M+Na]+ 149.10492 138.4
[M-H]- 125.10842 130.8
[M+NH4]+ 144.14952 150.1
[M+K]+ 165.07886 138.0
[M+H-H2O]+ 109.11296 119.5
[M+HCOO]- 171.11390 149.2
[M+CH3COO]- 185.12955 188.7
[M+Na-2H]- 147.09037 136.2
[M]+ 126.11515 124.7
[M]- 126.11625 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