CID 21644

1-propylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCN1CCCCC1
InChI
InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3
InChIKey
VTDIWMPYBAVEDY-UHFFFAOYSA-N
Compound name
1-propylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

7942
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 129.7
[M+Na]+ 150.12532 134.3
[M-H]- 126.12882 130.8
[M+NH4]+ 145.16992 150.3
[M+K]+ 166.09926 133.5
[M+H-H2O]+ 110.13336 123.3
[M+HCOO]- 172.13430 148.9
[M+CH3COO]- 186.14995 172.2
[M+Na-2H]- 148.11077 135.4
[M]+ 127.13555 125.4
[M]- 127.13665 125.4
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