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

118982
Patents

99.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 120.5
[M+Na]+ 122.09402 126.0
[M-H]- 98.097524 122.0
[M+NH4]+ 117.13862 142.2
[M+K]+ 138.06796 125.7
[M+H-H2O]+ 82.102060 114.6
[M+HCOO]- 144.10300 140.4
[M+CH3COO]- 158.11865 166.1
[M+Na-2H]- 120.07947 127.4
[M]+ 99.104251 115.5
[M]- 99.105349 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.