CID 21150993

Dlemrfdetapxpq-uhfffaoysa-n

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(C=CC2C1C3CC2CC3OC)C
InChI
InChI=1S/C13H20O/c1-13(2)5-4-9-8-6-10(12(9)13)11(7-8)14-3/h4-5,8-12H,6-7H2,1-3H3
InChIKey
DLEMRFDETAPXPQ-UHFFFAOYSA-N
Compound name
8-methoxy-5,5-dimethyltricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 148.3
[M+Na]+ 215.140628 157.5
[M-H]- 191.144134 152.8
[M+NH4]+ 210.185233 178.3
[M+K]+ 231.114568 154.3
[M+H-H2O]+ 175.148670 145.5
[M+HCOO]- 237.149611 169.0
[M+CH3COO]- 251.165261 162.3
[M+Na-2H]- 213.126076 149.7
[M]+ 192.15086142 149.9
[M]- 192.15195858 149.9
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.