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 162.2
[M+Na]+ 277.17742 167.5
[M-H]- 253.18092 165.8
[M+NH4]+ 272.22202 182.4
[M+K]+ 293.15136 166.1
[M+H-H2O]+ 237.18546 156.5
[M+HCOO]- 299.18640 180.5
[M+CH3COO]- 313.20205 198.2
[M+Na-2H]- 275.16287 161.7
[M]+ 254.18765 164.2
[M]- 254.18875 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.