CID 80296785

3-(1-methylcyclopropyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C7H10N2
SMILES
CC1(CC1)C2=CC=NN2
InChI
InChI=1S/C7H10N2/c1-7(3-4-7)6-2-5-8-9-6/h2,5H,3-4H2,1H3,(H,8,9)
InChIKey
RGQQTRKDYZKYMP-UHFFFAOYSA-N
Compound name
5-(1-methylcyclopropyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

122.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 128.0
[M+Na]+ 145.07362 138.5
[M-H]- 121.07712 131.9
[M+NH4]+ 140.11822 145.7
[M+K]+ 161.04756 135.8
[M+H-H2O]+ 105.08166 121.5
[M+HCOO]- 167.08260 150.0
[M+CH3COO]- 181.09825 141.6
[M+Na-2H]- 143.05907 135.3
[M]+ 122.08385 128.4
[M]- 122.08495 128.4
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