CID 44145813

3a,4,5,6,7,7a-hexahydromethoxydimethyl-4,7-methano-1h-indene

Structural Information

Molecular Formula
C13H20O
SMILES
CC1C2C3CCC(C3)C2C(=C1C)OC
InChI
InChI=1S/C13H20O/c1-7-8(2)13(14-3)12-10-5-4-9(6-10)11(7)12/h7,9-12H,4-6H2,1-3H3
InChIKey
VOJLZMSJAQIWCN-UHFFFAOYSA-N
Compound name
3-methoxy-4,5-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 148.5
[M+Na]+ 215.14063 157.5
[M-H]- 191.14413 153.0
[M+NH4]+ 210.18523 176.7
[M+K]+ 231.11457 154.6
[M+H-H2O]+ 175.14867 145.7
[M+HCOO]- 237.14961 169.1
[M+CH3COO]- 251.16526 188.4
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 150.2
[M]- 192.15196 150.2
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.