CID 3819217

(r)-meranzin

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C
InChI
InChI=1S/C15H16O4/c1-15(2)12(19-15)8-10-11(17-3)6-4-9-5-7-13(16)18-14(9)10/h4-7,12H,8H2,1-3H3
InChIKey
LSZONYLDFHGRDP-UHFFFAOYSA-N
Compound name
8-[(3,3-dimethyloxiran-2-yl)methyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

260.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.1
[M+Na]+ 283.09408 169.9
[M-H]- 259.09758 168.0
[M+NH4]+ 278.13868 170.4
[M+K]+ 299.06802 169.8
[M+H-H2O]+ 243.10212 150.5
[M+HCOO]- 305.10306 178.2
[M+CH3COO]- 319.11871 199.9
[M+Na-2H]- 281.07953 165.5
[M]+ 260.10431 167.3
[M]- 260.10541 167.3
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.