CID 135732767

4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1CNC2=C(C=NN2C1)C=O
InChI
InChI=1S/C7H9N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h4-5,8H,1-3H2
InChIKey
AGEYKPIBIYCOOE-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

151.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 130.9
[M+Na]+ 174.063768 139.3
[M-H]- 150.067274 129.7
[M+NH4]+ 169.108373 150.0
[M+K]+ 190.037708 136.4
[M+H-H2O]+ 134.071810 123.4
[M+HCOO]- 196.072751 148.8
[M+CH3COO]- 210.088401 143.2
[M+Na-2H]- 172.049216 137.2
[M]+ 151.07400142 127.5
[M]- 151.07509858 127.5
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