CID 175273

Acetaldehyde, ((3a,4,5,6,7,7a-hexahydro-4,7-methano-1h-inden-6-yl)oxy)-

Structural Information

Molecular Formula
C12H16O2
SMILES
C1C=CC2C1C3CC2CC3OCC=O
InChI
InChI=1S/C12H16O2/c13-4-5-14-12-7-8-6-11(12)10-3-1-2-9(8)10/h1-2,4,8-12H,3,5-7H2
InChIKey
IKAWYZAMQMXCJD-UHFFFAOYSA-N
Compound name
2-(8-tricyclo[5.2.1.02,6]dec-3-enyloxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

192.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 146.4
[M+Na]+ 215.104258 154.1
[M-H]- 191.107764 150.3
[M+NH4]+ 210.148863 173.8
[M+K]+ 231.078198 151.5
[M+H-H2O]+ 175.112300 142.9
[M+HCOO]- 237.113241 167.8
[M+CH3COO]- 251.128891 184.4
[M+Na-2H]- 213.089706 147.9
[M]+ 192.11449142 147.7
[M]- 192.11558858 147.7
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