CID 13163973

4-cyclopropyl-1h-pyrazole

Structural Information

Molecular Formula
C6H8N2
SMILES
C1CC1C2=CNN=C2
InChI
InChI=1S/C6H8N2/c1-2-5(1)6-3-7-8-4-6/h3-5H,1-2H2,(H,7,8)
InChIKey
FHHRJUAWRYSTJL-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

108.06875 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.07603 123.3
[M+Na]+ 131.05797 133.5
[M-H]- 107.06147 126.9
[M+NH4]+ 126.10257 139.6
[M+K]+ 147.03191 130.2
[M+H-H2O]+ 91.066010 116.0
[M+HCOO]- 153.06695 145.9
[M+CH3COO]- 167.08260 136.9
[M+Na-2H]- 129.04342 130.2
[M]+ 108.06820 122.9
[M]- 108.06930 122.9
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