CID 57573745

789484-63-5

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C)CC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11(2)6-8-4-3-7(5-10-8)9(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
CDFAQVRWSLLZSG-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

180.08987 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 137.7
[M+Na]+ 203.079088 144.9
[M-H]- 179.082594 140.3
[M+NH4]+ 198.123693 156.1
[M+K]+ 219.053028 144.3
[M+H-H2O]+ 163.087130 130.9
[M+HCOO]- 225.088071 160.7
[M+CH3COO]- 239.103721 184.8
[M+Na-2H]- 201.064536 143.2
[M]+ 180.08932142 138.7
[M]- 180.09041858 138.7
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