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
3
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]+ 255.195476 162.2
[M+Na]+ 277.177418 167.5
[M-H]- 253.180924 165.8
[M+NH4]+ 272.222023 182.4
[M+K]+ 293.151358 166.1
[M+H-H2O]+ 237.185460 156.5
[M+HCOO]- 299.186401 180.5
[M+CH3COO]- 313.202051 198.2
[M+Na-2H]- 275.162866 161.7
[M]+ 254.18765142 164.2
[M]- 254.18874858 164.2
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.