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

1081
Patents

124.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 125.3
[M+Na]+ 147.08927 134.3
[M-H]- 123.09277 126.7
[M+NH4]+ 142.13387 147.1
[M+K]+ 163.06321 133.6
[M+H-H2O]+ 107.09731 118.8
[M+HCOO]- 169.09825 147.7
[M+CH3COO]- 183.11390 172.9
[M+Na-2H]- 145.07472 130.3
[M]+ 124.09950 126.0
[M]- 124.10060 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