CID 20711133

4-methylpiperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1(CCNCC1)C#N
InChI
InChI=1S/C7H12N2/c1-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3
InChIKey
VIXYONLJAGTTOD-UHFFFAOYSA-N
Compound name
4-methylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

124.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.5
[M+Na]+ 147.08927 133.7
[M-H]- 123.09277 126.0
[M+NH4]+ 142.13387 145.3
[M+K]+ 163.06321 130.6
[M+H-H2O]+ 107.09731 113.9
[M+HCOO]- 169.09825 140.7
[M+CH3COO]- 183.11390 180.8
[M+Na-2H]- 145.07472 132.3
[M]+ 124.09950 115.1
[M]- 124.10060 115.1
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