CID 56776946

1-(cyclopropylmethyl)-1h-pyrazole

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CC1CN2C=CC=N2
InChI
InChI=1S/C7H10N2/c1-4-8-9(5-1)6-7-2-3-7/h1,4-5,7H,2-3,6H2
InChIKey
IWZYEIKJKNCJNW-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

122.0844 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 128.4
[M+Na]+ 145.07362 138.6
[M-H]- 121.07712 133.2
[M+NH4]+ 140.11822 144.9
[M+K]+ 161.04756 136.0
[M+H-H2O]+ 105.08166 120.6
[M+HCOO]- 167.08260 152.1
[M+CH3COO]- 181.09825 142.2
[M+Na-2H]- 143.05907 135.1
[M]+ 122.08385 130.1
[M]- 122.08495 130.1
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