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
4
Annotation Hits

26
References

16106
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

literature stripe

Patent stripe

patents stripe