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

418
Patents

204.15141 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 147.0
[M+Na]+ 227.140628 157.5
[M-H]- 203.144134 154.2
[M+NH4]+ 222.185233 168.6
[M+K]+ 243.114568 154.0
[M+H-H2O]+ 187.148670 143.1
[M+HCOO]- 249.149611 163.0
[M+CH3COO]- 263.165261 160.1
[M+Na-2H]- 225.126076 150.7
[M]+ 204.15086142 149.0
[M]- 204.15195858 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