CID 22277844

2-(piperidin-3-yl)acetonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
C1CC(CNC1)CC#N
InChI
InChI=1S/C7H12N2/c8-4-3-7-2-1-5-9-6-7/h7,9H,1-3,5-6H2
InChIKey
HZJOVDAZLMBPPZ-UHFFFAOYSA-N
Compound name
2-piperidin-3-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

124.10005 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 124.8
[M+Na]+ 147.08927 131.8
[M-H]- 123.09277 124.8
[M+NH4]+ 142.13387 142.7
[M+K]+ 163.06321 129.1
[M+H-H2O]+ 107.09731 112.4
[M+HCOO]- 169.09825 139.9
[M+CH3COO]- 183.11390 181.2
[M+Na-2H]- 145.07472 130.7
[M]+ 124.09950 114.0
[M]- 124.10060 114.0
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