CID 82396338

1367815-84-6

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC(C)C1=CC=NC2=CC(=NN12)C(=O)O
InChI
InChI=1S/C10H11N3O2/c1-6(2)8-3-4-11-9-5-7(10(14)15)12-13(8)9/h3-6H,1-2H3,(H,14,15)
InChIKey
UXIYVRZFGKZRGV-UHFFFAOYSA-N
Compound name
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.2
[M+Na]+ 228.07435 153.6
[M-H]- 204.07785 143.5
[M+NH4]+ 223.11895 160.7
[M+K]+ 244.04829 150.8
[M+H-H2O]+ 188.08239 135.8
[M+HCOO]- 250.08333 162.7
[M+CH3COO]- 264.09898 184.4
[M+Na-2H]- 226.05980 148.1
[M]+ 205.08458 145.9
[M]- 205.08568 145.9
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

No patent data available for this compound.