CID 494948

Nsc638476

Structural Information

Molecular Formula
C18H24O4
SMILES
CC12CCC3CCCCC3(C(O1)OCC4=CC=CC=C4)OO2
InChI
InChI=1S/C18H24O4/c1-17-12-10-15-9-5-6-11-18(15,22-21-17)16(20-17)19-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKey
YPXQJHNIWNKEAX-UHFFFAOYSA-N
Compound name
9-methyl-12-phenylmethoxy-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 167.7
[M+Na]+ 327.15667 174.6
[M-H]- 303.16017 174.1
[M+NH4]+ 322.20127 184.5
[M+K]+ 343.13061 171.6
[M+H-H2O]+ 287.16471 165.1
[M+HCOO]- 349.16565 174.9
[M+CH3COO]- 363.18130 176.4
[M+Na-2H]- 325.14212 178.0
[M]+ 304.16690 167.5
[M]- 304.16800 167.5
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.