CID 14550004

57832-61-8

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1=C(C=NN1)C(C)C
InChI
InChI=1S/C7H12N2/c1-5(2)7-4-8-9-6(7)3/h4-5H,1-3H3,(H,8,9)
InChIKey
SWEZGJVIOFBJBX-UHFFFAOYSA-N
Compound name
5-methyl-4-propan-2-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

214
Patents

124.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 126.4
[M+Na]+ 147.089268 134.9
[M-H]- 123.092774 126.3
[M+NH4]+ 142.133873 147.4
[M+K]+ 163.063208 133.3
[M+H-H2O]+ 107.097310 120.1
[M+HCOO]- 169.098251 147.2
[M+CH3COO]- 183.113901 170.1
[M+Na-2H]- 145.074716 130.8
[M]+ 124.09950142 125.2
[M]- 124.10059858 125.2
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