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

2285
Patents

127.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 130.5
[M+Na]+ 150.125318 134.7
[M-H]- 126.128824 130.2
[M+NH4]+ 145.169923 150.4
[M+K]+ 166.099258 132.9
[M+H-H2O]+ 110.133360 124.4
[M+HCOO]- 172.134301 148.2
[M+CH3COO]- 186.149951 169.4
[M+Na-2H]- 148.110766 135.7
[M]+ 127.13555142 124.3
[M]- 127.13664858 124.3
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