CID 22713930

2-(dimethylamino)-2-(pyridin-3-yl)acetic acid

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C)C(C1=CN=CC=C1)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11(2)8(9(12)13)7-4-3-5-10-6-7/h3-6,8H,1-2H3,(H,12,13)
InChIKey
XIHXVZRSQDQUSZ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

180.08987 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.3
[M+Na]+ 203.07909 144.2
[M-H]- 179.08259 140.5
[M+NH4]+ 198.12369 156.3
[M+K]+ 219.05303 144.1
[M+H-H2O]+ 163.08713 131.3
[M+HCOO]- 225.08807 160.3
[M+CH3COO]- 239.10372 184.6
[M+Na-2H]- 201.06454 143.2
[M]+ 180.08932 138.2
[M]- 180.09042 138.2
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