CID 1803558

Meranzin

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1([C@@H](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/t12-/m0/s1
InChIKey
LSZONYLDFHGRDP-LBPRGKRZSA-N
Compound name
8-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

43
Patents

260.10486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.112136 157.1
[M+Na]+ 283.094078 169.9
[M-H]- 259.097584 168.0
[M+NH4]+ 278.138683 170.4
[M+K]+ 299.068018 169.8
[M+H-H2O]+ 243.102120 150.5
[M+HCOO]- 305.103061 178.2
[M+CH3COO]- 319.118711 199.9
[M+Na-2H]- 281.079526 165.5
[M]+ 260.10431142 167.3
[M]- 260.10540858 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.