CID 24844218

3-nonyl-1h-pyrazole

Structural Information

Molecular Formula
C12H22N2
SMILES
CCCCCCCCCC1=CC=NN1
InChI
InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
Compound name
5-nonyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.1783 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.18558 148.9
[M+Na]+ 217.16752 154.5
[M-H]- 193.17102 147.3
[M+NH4]+ 212.21212 166.8
[M+K]+ 233.14146 151.2
[M+H-H2O]+ 177.17556 141.1
[M+HCOO]- 239.17650 169.1
[M+CH3COO]- 253.19215 183.3
[M+Na-2H]- 215.15297 152.5
[M]+ 194.17775 149.7
[M]- 194.17885 149.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe