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

7
Patents

122.0844 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 128.0
[M+Na]+ 145.073618 138.5
[M-H]- 121.077124 131.9
[M+NH4]+ 140.118223 145.7
[M+K]+ 161.047558 135.8
[M+H-H2O]+ 105.081660 121.5
[M+HCOO]- 167.082601 150.0
[M+CH3COO]- 181.098251 141.6
[M+Na-2H]- 143.059066 135.3
[M]+ 122.08385142 128.4
[M]- 122.08494858 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