CID 94521

41723-98-2

Structural Information

Molecular Formula
C14H20O
SMILES
CC1C2(O1)CC3CC2C4C3CC(=CC4)C
InChI
InChI=1S/C14H20O/c1-8-3-4-11-12(5-8)10-6-13(11)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3
InChIKey
AVJUDQZBROVIIP-UHFFFAOYSA-N
Compound name
3,4'-dimethylspiro[oxirane-2,9'-tricyclo[6.2.1.02,7]undec-4-ene]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

238
Patents

204.15141 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 146.7
[M+Na]+ 227.14063 159.2
[M+NH4]+ 222.18523 159.8
[M+K]+ 243.11457 155.2
[M-H]- 203.14413 157.8
[M+Na-2H]- 225.12608 151.9
[M]+ 204.15086 153.0
[M]- 204.15196 153.0
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