CID 1090064

3-(4-methylpiperidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1CCN(CC1)CCC(=O)O
InChI
InChI=1S/C9H17NO2/c1-8-2-5-10(6-3-8)7-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKey
BHNUKMSGOXLYAO-UHFFFAOYSA-N
Compound name
3-(4-methylpiperidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

41
Patents

171.12593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 139.6
[M+Na]+ 194.115148 144.4
[M-H]- 170.118654 139.6
[M+NH4]+ 189.159753 157.8
[M+K]+ 210.089088 143.1
[M+H-H2O]+ 154.123190 133.4
[M+HCOO]- 216.124131 156.6
[M+CH3COO]- 230.139781 177.6
[M+Na-2H]- 192.100596 142.4
[M]+ 171.12538142 135.8
[M]- 171.12647858 135.8
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