CID 107035

Isolongifolene oxide

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
InChI
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3
InChIKey
VQHLGZRKOZIABH-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethyl-6-oxatetracyclo[7.2.1.01,7.05,7]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

146
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 149.8
[M+Na]+ 243.171928 160.3
[M-H]- 219.175434 157.1
[M+NH4]+ 238.216533 175.7
[M+K]+ 259.145868 158.8
[M+H-H2O]+ 203.179970 147.0
[M+HCOO]- 265.180911 163.3
[M+CH3COO]- 279.196561 162.9
[M+Na-2H]- 241.157376 155.9
[M]+ 220.18216142 153.8
[M]- 220.18325858 153.8
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