CID 10536711

Schembl14444014

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1=CCCC(C1/C=C/C2=CC=NN2)(C)C
InChI
InChI=1S/C14H20N2/c1-11-5-4-9-14(2,3)13(11)7-6-12-8-10-15-16-12/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/b7-6+
InChIKey
XDOKUIJGTVJMBQ-VOTSOKGWSA-N
Compound name
5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 151.9
[M+Na]+ 239.15186 159.3
[M-H]- 215.15536 154.4
[M+NH4]+ 234.19646 171.1
[M+K]+ 255.12580 154.5
[M+H-H2O]+ 199.15990 144.5
[M+HCOO]- 261.16084 170.4
[M+CH3COO]- 275.17649 185.6
[M+Na-2H]- 237.13731 154.5
[M]+ 216.16209 148.3
[M]- 216.16319 148.3
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