CID 428619

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

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN1CCC(CC1)CC(=O)O
InChI
InChI=1S/C8H15NO2/c1-9-4-2-7(3-5-9)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKey
KPQGGKCBIODRRY-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

486
Patents

157.11028 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.0
[M+Na]+ 180.09950 140.3
[M-H]- 156.10300 135.2
[M+NH4]+ 175.14410 153.8
[M+K]+ 196.07344 139.2
[M+H-H2O]+ 140.10754 129.1
[M+HCOO]- 202.10848 152.4
[M+CH3COO]- 216.12413 174.5
[M+Na-2H]- 178.08495 138.4
[M]+ 157.10973 130.8
[M]- 157.11083 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

No literature data available for this compound.

Patent stripe

patents stripe