CID 6453656

Heptanenitrile, 2-amino-2-methyl-

Structural Information

Molecular Formula
C8H16N2
SMILES
CCCCCC(C)(C#N)N
InChI
InChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3
InChIKey
RCJOBLVEKCLVPT-UHFFFAOYSA-N
Compound name
2-amino-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

140.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.138626 134.2
[M+Na]+ 163.120568 142.0
[M-H]- 139.124074 134.6
[M+NH4]+ 158.165173 153.5
[M+K]+ 179.094508 141.3
[M+H-H2O]+ 123.128610 123.2
[M+HCOO]- 185.129551 152.9
[M+CH3COO]- 199.145201 191.5
[M+Na-2H]- 161.106016 139.7
[M]+ 140.13080142 129.0
[M]- 140.13189858 129.0
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