CID 6485410

6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H7N3O2
SMILES
CC1=CN2C(=C(C=N2)C(=O)O)N=C1
InChI
InChI=1S/C8H7N3O2/c1-5-2-9-7-6(8(12)13)3-10-11(7)4-5/h2-4H,1H3,(H,12,13)
InChIKey
JCNOXGKQXXFWCM-UHFFFAOYSA-N
Compound name
6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

119
Patents

177.05383 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.061106 133.9
[M+Na]+ 200.043048 145.5
[M-H]- 176.046554 134.3
[M+NH4]+ 195.087653 152.5
[M+K]+ 216.016988 142.6
[M+H-H2O]+ 160.051090 126.7
[M+HCOO]- 222.052031 155.0
[M+CH3COO]- 236.067681 177.5
[M+Na-2H]- 198.028496 141.0
[M]+ 177.05328142 136.4
[M]- 177.05437858 136.4
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