CID 112682

2-aminooctanenitrile

Structural Information

Molecular Formula
C8H16N2
SMILES
CCCCCCC(C#N)N
InChI
InChI=1S/C8H16N2/c1-2-3-4-5-6-8(10)7-9/h8H,2-6,10H2,1H3
InChIKey
CJURZHVBRCKLPN-UHFFFAOYSA-N
Compound name
2-aminooctanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

140.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 132.3
[M+Na]+ 163.12057 139.5
[M-H]- 139.12407 132.4
[M+NH4]+ 158.16517 151.4
[M+K]+ 179.09451 138.8
[M+H-H2O]+ 123.12861 120.8
[M+HCOO]- 185.12955 151.5
[M+CH3COO]- 199.14520 191.9
[M+Na-2H]- 161.10602 136.3
[M]+ 140.13080 127.0
[M]- 140.13190 127.0
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