CID 55253330

886371-10-4

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=CC(=C(N=C1)N)C(=O)OC
InChI
InChI=1S/C8H10N2O2/c1-5-3-6(8(11)12-2)7(9)10-4-5/h3-4H,1-2H3,(H2,9,10)
InChIKey
ZUSQXUYFDCIZMX-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.4
[M+Na]+ 189.06345 142.4
[M-H]- 165.06695 136.0
[M+NH4]+ 184.10805 152.6
[M+K]+ 205.03739 141.1
[M+H-H2O]+ 149.07149 127.0
[M+HCOO]- 211.07243 157.1
[M+CH3COO]- 225.08808 180.8
[M+Na-2H]- 187.04890 138.8
[M]+ 166.07368 134.0
[M]- 166.07478 134.0
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