CID 91497

Galaxolide

Structural Information

Molecular Formula
C18H26O
SMILES
CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
InChI
InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
InChIKey
ONKNPOPIGWHAQC-UHFFFAOYSA-N
Compound name
4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

254
References

9448
Patents

258.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 159.6
[M+Na]+ 281.18758 169.8
[M-H]- 257.19108 166.2
[M+NH4]+ 276.23218 184.4
[M+K]+ 297.16152 166.4
[M+H-H2O]+ 241.19562 155.0
[M+HCOO]- 303.19656 176.5
[M+CH3COO]- 317.21221 172.9
[M+Na-2H]- 279.17303 163.3
[M]+ 258.19781 161.2
[M]- 258.19891 161.2
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