CID 8029655

904500-44-3

Structural Information

Molecular Formula
C10H10N4O
SMILES
CCCC1=CC(=O)N2C(=N1)C(=CN2)C#N
InChI
InChI=1S/C10H10N4O/c1-2-3-8-4-9(15)14-10(13-8)7(5-11)6-12-14/h4,6,12H,2-3H2,1H3
InChIKey
KHTIJPVQTSSZNV-UHFFFAOYSA-N
Compound name
7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.08546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.092736 142.2
[M+Na]+ 225.074678 155.0
[M-H]- 201.078184 141.1
[M+NH4]+ 220.119283 157.8
[M+K]+ 241.048618 149.6
[M+H-H2O]+ 185.082720 127.5
[M+HCOO]- 247.083661 159.4
[M+CH3COO]- 261.099311 153.4
[M+Na-2H]- 223.060126 147.8
[M]+ 202.08491142 139.1
[M]- 202.08600858 139.1
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

No patent data available for this compound.