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

18
Patents

151.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.9
[M+Na]+ 174.06377 139.3
[M-H]- 150.06727 129.7
[M+NH4]+ 169.10837 150.0
[M+K]+ 190.03771 136.4
[M+H-H2O]+ 134.07181 123.4
[M+HCOO]- 196.07275 148.8
[M+CH3COO]- 210.08840 143.2
[M+Na-2H]- 172.04922 137.2
[M]+ 151.07400 127.5
[M]- 151.07510 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