CID 20119283

1-butanoylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCCC(=O)N1CCCCC1C(=O)O
InChI
InChI=1S/C10H17NO3/c1-2-5-9(12)11-7-4-3-6-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKey
YAROARGCVPNPHK-UHFFFAOYSA-N
Compound name
1-butanoylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.7
[M+Na]+ 222.110068 150.1
[M-H]- 198.113574 145.6
[M+NH4]+ 217.154673 162.6
[M+K]+ 238.084008 149.0
[M+H-H2O]+ 182.118110 139.3
[M+HCOO]- 244.119051 161.8
[M+CH3COO]- 258.134701 182.0
[M+Na-2H]- 220.095516 146.8
[M]+ 199.12030142 142.3
[M]- 199.12139858 142.3
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

No patent data available for this compound.