CID 44145728

85409-82-1

Structural Information

Molecular Formula
C18H24O6
SMILES
C=CC(=O)OC1CC2C3CC(C2C1CO)C(C3OC(=O)C=C)CO
InChI
InChI=1S/C18H24O6/c1-3-15(21)23-14-6-10-11-5-9(17(10)13(14)8-20)12(7-19)18(11)24-16(22)4-2/h3-4,9-14,17-20H,1-2,5-8H2
InChIKey
AEOOKQQYROTMQW-UHFFFAOYSA-N
Compound name
[3,9-bis(hydroxymethyl)-8-prop-2-enoyloxy-4-tricyclo[5.2.1.02,6]decanyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1573 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.164576 182.6
[M+Na]+ 359.146518 187.8
[M-H]- 335.150024 183.4
[M+NH4]+ 354.191123 202.8
[M+K]+ 375.120458 184.1
[M+H-H2O]+ 319.154560 180.5
[M+HCOO]- 381.155501 196.3
[M+CH3COO]- 395.171151 207.8
[M+Na-2H]- 357.131966 176.7
[M]+ 336.15675142 184.3
[M]- 336.15784858 184.3
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.