CID 441970

5-o-methylvisamminol

Structural Information

Molecular Formula
C16H18O5
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC
InChI
InChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
InChIKey
DGFLRNOCLJGHLY-ZDUSSCGKSA-N
Compound name
(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

290.11542 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.122696 163.6
[M+Na]+ 313.104638 174.2
[M-H]- 289.108144 170.2
[M+NH4]+ 308.149243 180.8
[M+K]+ 329.078578 173.5
[M+H-H2O]+ 273.112680 159.1
[M+HCOO]- 335.113621 180.9
[M+CH3COO]- 349.129271 201.9
[M+Na-2H]- 311.090086 169.8
[M]+ 290.11487142 170.4
[M]- 290.11596858 170.4
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