CID 100164

1,3,5-trimethylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CC1CC(CN(C1)C)C
InChI
InChI=1S/C8H17N/c1-7-4-8(2)6-9(3)5-7/h7-8H,4-6H2,1-3H3
InChIKey
IGJDIGJIINCEDE-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

497
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 128.8
[M+Na]+ 150.12532 140.8
[M+NH4]+ 145.16992 138.3
[M+K]+ 166.09926 134.1
[M-H]- 126.12882 131.0
[M+Na-2H]- 148.11077 134.3
[M]+ 127.13555 131.1
[M]- 127.13665 131.1
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