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

1076
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

literature stripe

Patent stripe

patents stripe