CID 11550684

845276-38-2

Structural Information

Molecular Formula
C15H18O4
SMILES
COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CO)OC
InChI
InChI=1S/C15H18O4/c1-17-13-7-10(8-16)11-5-6-12(9-3-4-9)19-14(11)15(13)18-2/h5-7,9,12,16H,3-4,8H2,1-2H3
InChIKey
PGNVWUKZOFCMFC-UHFFFAOYSA-N
Compound name
(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

262.1205 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 157.1
[M+Na]+ 285.10972 167.3
[M-H]- 261.11322 165.2
[M+NH4]+ 280.15432 168.8
[M+K]+ 301.08366 164.9
[M+H-H2O]+ 245.11776 150.1
[M+HCOO]- 307.11870 176.6
[M+CH3COO]- 321.13435 198.8
[M+Na-2H]- 283.09517 162.5
[M]+ 262.11995 163.7
[M]- 262.12105 163.7
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

patents stripe