CID 106700

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

Structural Information

Molecular Formula
C12H18O
SMILES
CCOC1CC2CC1C3C2C=CC3
InChI
InChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3
InChIKey
ATTDNHNDBNMYBQ-UHFFFAOYSA-N
Compound name
8-ethoxytricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

178.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 144.6
[M+Na]+ 201.12499 152.3
[M-H]- 177.12849 148.6
[M+NH4]+ 196.16959 172.7
[M+K]+ 217.09893 149.7
[M+H-H2O]+ 161.13303 141.1
[M+HCOO]- 223.13397 165.6
[M+CH3COO]- 237.14962 158.2
[M+Na-2H]- 199.11044 146.0
[M]+ 178.13522 145.2
[M]- 178.13632 145.2
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