CID 84648365

2,2-dimethylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C8H14N2
SMILES
CC1(CC(CCN1)C#N)C
InChI
InChI=1S/C8H14N2/c1-8(2)5-7(6-9)3-4-10-8/h7,10H,3-5H2,1-2H3
InChIKey
GTEKSPGKRFEHRA-UHFFFAOYSA-N
Compound name
2,2-dimethylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.11569 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 128.7
[M+Na]+ 161.10491 137.3
[M-H]- 137.10841 129.5
[M+NH4]+ 156.14951 148.4
[M+K]+ 177.07885 134.1
[M+H-H2O]+ 121.11295 117.3
[M+HCOO]- 183.11389 143.7
[M+CH3COO]- 197.12954 184.5
[M+Na-2H]- 159.09036 134.5
[M]+ 138.11514 119.0
[M]- 138.11624 119.0
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

No patent data available for this compound.