CID 86091574

2-propylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCCC1(CCCCN1)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-2-5-9(8(11)12)6-3-4-7-10-9/h10H,2-7H2,1H3,(H,11,12)
InChIKey
PEFJXLRRICMJFX-UHFFFAOYSA-N
Compound name
2-propylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.7
[M+Na]+ 194.11515 145.0
[M-H]- 170.11865 139.2
[M+NH4]+ 189.15975 159.9
[M+K]+ 210.08909 143.1
[M+H-H2O]+ 154.12319 135.4
[M+HCOO]- 216.12413 156.2
[M+CH3COO]- 230.13978 173.4
[M+Na-2H]- 192.10060 144.7
[M]+ 171.12538 134.9
[M]- 171.12648 134.9
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

No patent data available for this compound.