CID 114550

3-propylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCC1CCCNC1
InChI
InChI=1S/C8H17N/c1-2-4-8-5-3-6-9-7-8/h8-9H,2-7H2,1H3
InChIKey
CRZUKKNUMNKBFJ-UHFFFAOYSA-N
Compound name
3-propylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

489
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 130.5
[M+Na]+ 150.12532 134.7
[M-H]- 126.12882 130.2
[M+NH4]+ 145.16992 150.4
[M+K]+ 166.09926 132.9
[M+H-H2O]+ 110.13336 124.4
[M+HCOO]- 172.13430 148.2
[M+CH3COO]- 186.14995 169.4
[M+Na-2H]- 148.11077 135.7
[M]+ 127.13555 124.3
[M]- 127.13665 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

No literature data available for this compound.

Patent stripe

patents stripe