CID 84654145

2-(2,2-dimethylpiperidin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CC(CCN1)CC(=O)O)C
InChI
InChI=1S/C9H17NO2/c1-9(2)6-7(3-4-10-9)5-8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKey
CCLXSEBEYQHZPL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpiperidin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.8
[M+Na]+ 194.11515 145.2
[M-H]- 170.11865 138.8
[M+NH4]+ 189.15975 159.4
[M+K]+ 210.08909 143.3
[M+H-H2O]+ 154.12319 134.9
[M+HCOO]- 216.12413 155.3
[M+CH3COO]- 230.13978 174.5
[M+Na-2H]- 192.10060 143.3
[M]+ 171.12538 134.4
[M]- 171.12648 134.4
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.