CID 79342

4-chloro-1-methylpiperidine

Structural Information

Molecular Formula
C6H12ClN
SMILES
CN1CCC(CC1)Cl
InChI
InChI=1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey
MYGXGCCFTPKWIH-UHFFFAOYSA-N
Compound name
4-chloro-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1238
Patents

133.06583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07311 126.1
[M+Na]+ 156.05505 133.3
[M-H]- 132.05855 127.7
[M+NH4]+ 151.09965 147.6
[M+K]+ 172.02899 131.0
[M+H-H2O]+ 116.06309 121.0
[M+HCOO]- 178.06403 141.3
[M+CH3COO]- 192.07968 171.1
[M+Na-2H]- 154.04050 131.8
[M]+ 133.06528 123.2
[M]- 133.06638 123.2
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.