CID 55288336

3-(piperidin-2-yl)propanenitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
C1CCNC(C1)CCC#N
InChI
InChI=1S/C8H14N2/c9-6-3-5-8-4-1-2-7-10-8/h8,10H,1-5,7H2
InChIKey
JCLLVTBCUGMKAT-UHFFFAOYSA-N
Compound name
3-piperidin-2-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

138.11569 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 128.6
[M+Na]+ 161.10491 135.3
[M-H]- 137.10841 128.5
[M+NH4]+ 156.14951 146.1
[M+K]+ 177.07885 132.3
[M+H-H2O]+ 121.11295 116.1
[M+HCOO]- 183.11389 143.5
[M+CH3COO]- 197.12954 184.0
[M+Na-2H]- 159.09036 134.0
[M]+ 138.11514 118.2
[M]- 138.11624 118.2
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

patents stripe