CID 3153128

2-(4-methylpiperidin-1-yl)acetic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCN(CC1)CC(=O)O
InChI
InChI=1S/C8H15NO2/c1-7-2-4-9(5-3-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
AVZSMACEWPTTTE-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

168
Patents

157.11028 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.0
[M+Na]+ 180.099498 140.3
[M-H]- 156.103004 135.2
[M+NH4]+ 175.144103 153.8
[M+K]+ 196.073438 139.2
[M+H-H2O]+ 140.107540 129.1
[M+HCOO]- 202.108481 152.4
[M+CH3COO]- 216.124131 174.5
[M+Na-2H]- 178.084946 138.4
[M]+ 157.10973142 130.8
[M]- 157.11082858 130.8
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