CID 127014763

5-ethynyl-1-(2-methylpropyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H12N2
SMILES
CC(C)CN1C(=CC=N1)C#C
InChI
InChI=1S/C9H12N2/c1-4-9-5-6-10-11(9)7-8(2)3/h1,5-6,8H,7H2,2-3H3
InChIKey
YUFJHDVZBULQNB-UHFFFAOYSA-N
Compound name
5-ethynyl-1-(2-methylpropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.10733 131.9
[M+Na]+ 171.08927 143.4
[M+NH4]+ 166.13387 136.4
[M+K]+ 187.06321 136.2
[M-H]- 147.09277 124.4
[M+Na-2H]- 169.07472 134.5
[M]+ 148.09950 130.5
[M]- 148.10060 130.5
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

No patent data available for this compound.