CID 45082574

Methyl 2-amino-2-(pyridin-3-yl)acetate dihydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
COC(=O)C(C1=CN=CC=C1)N
InChI
InChI=1S/C8H10N2O2/c1-12-8(11)7(9)6-3-2-4-10-5-6/h2-5,7H,9H2,1H3
InChIKey
AHRUJZICYBJXIK-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-pyridin-3-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

166.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 134.3
[M+Na]+ 189.063448 141.1
[M-H]- 165.066954 136.2
[M+NH4]+ 184.108053 152.7
[M+K]+ 205.037388 140.3
[M+H-H2O]+ 149.071490 127.4
[M+HCOO]- 211.072431 157.0
[M+CH3COO]- 225.088081 179.3
[M+Na-2H]- 187.048896 139.9
[M]+ 166.07368142 133.4
[M]- 166.07477858 133.4
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

patents stripe