CID 12291

1-methylpiperidine

Structural Information

Molecular Formula
C6H13N
SMILES
CN1CCCCC1
InChI
InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKey
PAMIQIKDUOTOBW-UHFFFAOYSA-N
Compound name
1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

58
References

119393
Patents

99.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 120.5
[M+Na]+ 122.094018 126.0
[M-H]- 98.097524 122.0
[M+NH4]+ 117.138623 142.2
[M+K]+ 138.067958 125.7
[M+H-H2O]+ 82.102060 114.6
[M+HCOO]- 144.103001 140.4
[M+CH3COO]- 158.118651 166.1
[M+Na-2H]- 120.079466 127.4
[M]+ 99.10425142 115.5
[M]- 99.10534858 115.5
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