CID 10703996

5-[(e)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)vinyl]isoxazole

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1=CCCC(C1/C=C/C2=CC=NO2)(C)C
InChI
InChI=1S/C14H19NO/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/b7-6+
InChIKey
LBLSJVJDWYLRHN-VOTSOKGWSA-N
Compound name
5-[(E)-2-(2,6,6-trimethylcyclohex-2-en-1-yl)ethenyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 149.5
[M+Na]+ 240.13589 157.4
[M-H]- 216.13939 155.5
[M+NH4]+ 235.18049 169.5
[M+K]+ 256.10983 155.1
[M+H-H2O]+ 200.14393 143.0
[M+HCOO]- 262.14487 170.1
[M+CH3COO]- 276.16052 187.5
[M+Na-2H]- 238.12134 153.6
[M]+ 217.14612 149.4
[M]- 217.14722 149.4
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.