CID 11970868

Hexahydro-2h-azocine-1-acetonitrile

Structural Information

Molecular Formula
C9H16N2
SMILES
C1CCCN(CCC1)CC#N
InChI
InChI=1S/C9H16N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-9H2
InChIKey
HTWWMEWXLRWYHS-UHFFFAOYSA-N
Compound name
2-(azocan-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.138626 139.2
[M+Na]+ 175.120568 143.9
[M-H]- 151.124074 140.0
[M+NH4]+ 170.165173 147.2
[M+K]+ 191.094508 143.9
[M+H-H2O]+ 135.128610 132.8
[M+HCOO]- 197.129551 146.3
[M+CH3COO]- 211.145201 224.8
[M+Na-2H]- 173.106016 140.3
[M]+ 152.13080142 135.2
[M]- 152.13189858 135.2
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

No patent data available for this compound.