CID 6483881

1185294-06-7

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(CC1=CN=CC=C1)CC(=O)O
InChI
InChI=1S/C9H12N2O2/c1-11(7-9(12)13)6-8-3-2-4-10-5-8/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
SJHDAHRJTPYHED-UHFFFAOYSA-N
Compound name
2-[methyl(pyridin-3-ylmethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

180.08987 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.1
[M+Na]+ 203.07909 144.4
[M-H]- 179.08259 140.3
[M+NH4]+ 198.12369 156.2
[M+K]+ 219.05303 143.7
[M+H-H2O]+ 163.08713 131.0
[M+HCOO]- 225.08807 161.1
[M+CH3COO]- 239.10372 183.6
[M+Na-2H]- 201.06454 144.3
[M]+ 180.08932 138.7
[M]- 180.09042 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

literature stripe

Patent stripe

patents stripe