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

30
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

literature stripe

Patent stripe

patents stripe