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
4
Annotation Hits

58
References

116700
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

literature stripe

Patent stripe

patents stripe