CID 3051312

67382-70-1

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC1CC(CCN1)CCCC(=O)O
InChI
InChI=1S/C10H19NO2/c1-8-7-9(5-6-11-8)3-2-4-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKey
MQDPIQMMMZHSRN-UHFFFAOYSA-N
Compound name
4-(2-methylpiperidin-4-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.14159 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 145.0
[M+Na]+ 208.13081 148.9
[M-H]- 184.13431 143.3
[M+NH4]+ 203.17541 161.9
[M+K]+ 224.10475 146.4
[M+H-H2O]+ 168.13885 138.8
[M+HCOO]- 230.13979 160.1
[M+CH3COO]- 244.15544 178.0
[M+Na-2H]- 206.11626 146.6
[M]+ 185.14104 139.6
[M]- 185.14214 139.6
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.