CID 121318341

2-chloro-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
CC1=CC(=NC2=C(C=CN12)C(=O)O)Cl
InChI
InChI=1S/C9H7ClN2O2/c1-5-4-7(10)11-8-6(9(13)14)2-3-12(5)8/h2-4H,1H3,(H,13,14)
InChIKey
NWUJICCUZZFEHH-UHFFFAOYSA-N
Compound name
2-chloro-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

210.0196 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 139.4
[M+Na]+ 233.00882 152.3
[M-H]- 209.01232 141.3
[M+NH4]+ 228.05342 159.3
[M+K]+ 248.98276 147.6
[M+H-H2O]+ 193.01686 133.8
[M+HCOO]- 255.01780 156.9
[M+CH3COO]- 269.03345 182.6
[M+Na-2H]- 230.99427 145.0
[M]+ 210.01905 144.1
[M]- 210.02015 144.1
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