CID 3152951

2-(piperidin-1-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C(=O)O)N1CCCCC1
InChI
InChI=1S/C8H15NO2/c1-7(8(10)11)9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H,10,11)
InChIKey
YTWYJCFQNOZVEC-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

781
Patents

157.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.6
[M+Na]+ 180.099498 139.6
[M-H]- 156.103004 135.5
[M+NH4]+ 175.144103 154.0
[M+K]+ 196.073438 139.1
[M+H-H2O]+ 140.107540 129.5
[M+HCOO]- 202.108481 152.0
[M+CH3COO]- 216.124131 174.3
[M+Na-2H]- 178.084946 138.4
[M]+ 157.10973142 130.4
[M]- 157.11082858 130.4
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