CID 94522

Rhubofix

Structural Information

Molecular Formula
C14H20O
SMILES
CC1C2(O1)CC3CC2C4C3CC=C(C4)C
InChI
InChI=1S/C14H20O/c1-8-3-4-11-10-6-13(12(11)5-8)14(7-10)9(2)15-14/h3,9-13H,4-7H2,1-2H3
InChIKey
VKPRTBDRPNWOGL-UHFFFAOYSA-N
Compound name
3,4'-dimethylspiro[oxirane-2,10'-tricyclo[6.2.1.02,7]undec-4-ene]
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

489
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 147.0
[M+Na]+ 227.14063 157.5
[M-H]- 203.14413 154.2
[M+NH4]+ 222.18523 168.6
[M+K]+ 243.11457 154.0
[M+H-H2O]+ 187.14867 143.1
[M+HCOO]- 249.14961 163.0
[M+CH3COO]- 263.16526 160.1
[M+Na-2H]- 225.12608 150.7
[M]+ 204.15086 149.0
[M]- 204.15196 149.0
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