CID 3815893

305860-75-7

Structural Information

Molecular Formula
C7H12N2
SMILES
CC1=C(NN=C1)C(C)C
InChI
InChI=1S/C7H12N2/c1-5(2)7-6(3)4-8-9-7/h4-5H,1-3H3,(H,8,9)
InChIKey
IUUHYSDDMJYOTN-UHFFFAOYSA-N
Compound name
4-methyl-5-propan-2-yl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

124.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 126.4
[M+Na]+ 147.08927 134.9
[M-H]- 123.09277 126.3
[M+NH4]+ 142.13387 147.4
[M+K]+ 163.06321 133.3
[M+H-H2O]+ 107.09731 120.1
[M+HCOO]- 169.09825 147.2
[M+CH3COO]- 183.11390 170.1
[M+Na-2H]- 145.07472 130.8
[M]+ 124.09950 125.2
[M]- 124.10060 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