CID 24755570

4,5-(methanoxyethano)isolongifol-4-ene

Structural Information

Molecular Formula
C18H28O
SMILES
CC1(CC2=C(CCOC2)C3[C@@]14CC[C@@H](C4)C3(C)C)C
InChI
InChI=1S/C18H28O/c1-16(2)9-12-11-19-8-6-14(12)15-17(3,4)13-5-7-18(15,16)10-13/h13,15H,5-11H2,1-4H3/t13-,15?,18-/m0/s1
InChIKey
OPHJYEFTOHTQHT-LWSHRDBSSA-N
Compound name
(1S,12S)-2,2,11,11-tetramethyl-6-oxatetracyclo[10.2.1.01,10.04,9]pentadec-4(9)-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.21402 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 163.5
[M+Na]+ 283.20324 171.1
[M-H]- 259.20674 168.8
[M+NH4]+ 278.24784 191.8
[M+K]+ 299.17718 166.8
[M+H-H2O]+ 243.21128 158.6
[M+HCOO]- 305.21222 176.3
[M+CH3COO]- 319.22787 175.1
[M+Na-2H]- 281.18869 166.2
[M]+ 260.21347 161.4
[M]- 260.21457 161.4
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

No patent data available for this compound.