CID 69381

4-methylpiperidine

Structural Information

Molecular Formula
C6H13N
SMILES
CC1CCNCC1
InChI
InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
InChIKey
UZOFELREXGAFOI-UHFFFAOYSA-N
Compound name
4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

24650
Patents

99.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 121.4
[M+Na]+ 122.09402 126.5
[M-H]- 98.097524 121.5
[M+NH4]+ 117.13862 142.4
[M+K]+ 138.06796 125.3
[M+H-H2O]+ 82.102060 115.8
[M+HCOO]- 144.10300 139.8
[M+CH3COO]- 158.11865 163.3
[M+Na-2H]- 120.07947 127.8
[M]+ 99.104251 114.5
[M]- 99.105349 114.5
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.