CID 3085475

Einecs 275-512-2

Structural Information

Molecular Formula
C15H26O3
SMILES
C[C@H]1C[C@H]([C@@H]([C@H]2[C@H]1CC=C2)C)OCC(OC)OC
InChI
InChI=1S/C15H26O3/c1-10-8-14(18-9-15(16-3)17-4)11(2)13-7-5-6-12(10)13/h5,7,10-15H,6,8-9H2,1-4H3/t10-,11+,12-,13-,14+/m0/s1
InChIKey
QEBGKUMRBYPVBR-ZUWCUPBKSA-N
Compound name
(3aR,4R,5R,7S,7aS)-5-(2,2-dimethoxyethoxy)-4,7-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

254.1882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 160.4
[M+Na]+ 277.17742 169.7
[M+NH4]+ 272.22202 168.7
[M+K]+ 293.15136 165.6
[M-H]- 253.18092 161.7
[M+Na-2H]- 275.16287 162.2
[M]+ 254.18765 161.9
[M]- 254.18875 161.9
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.