CID 12251378

1-methyl-3-(propan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C7H12N2
SMILES
CC(C)C1=NN(C=C1)C
InChI
InChI=1S/C7H12N2/c1-6(2)7-4-5-9(3)8-7/h4-6H,1-3H3
InChIKey
QOLDCHQHOOFRGQ-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1071
Patents

124.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 125.3
[M+Na]+ 147.089268 134.3
[M-H]- 123.092774 126.7
[M+NH4]+ 142.133873 147.1
[M+K]+ 163.063208 133.6
[M+H-H2O]+ 107.097310 118.8
[M+HCOO]- 169.098251 147.7
[M+CH3COO]- 183.113901 172.9
[M+Na-2H]- 145.074716 130.3
[M]+ 124.09950142 126.0
[M]- 124.10059858 126.0
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