CID 31169

4-propylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCC1CCNCC1
InChI
InChI=1S/C8H17N/c1-2-3-8-4-6-9-7-5-8/h8-9H,2-7H2,1H3
InChIKey
RQGBFVLTFYRYKB-UHFFFAOYSA-N
Compound name
4-propylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1288
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.2
[M+Na]+ 150.12532 140.9
[M+NH4]+ 145.16992 139.3
[M+K]+ 166.09926 134.0
[M-H]- 126.12882 131.8
[M+Na-2H]- 148.11077 135.4
[M]+ 127.13555 132.0
[M]- 127.13665 132.0
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