CID 53395303

6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl acetate

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(=O)OC1=CC=CC2=C1CC(C(C2)O)O
InChI
InChI=1S/C12H14O4/c1-7(13)16-12-4-2-3-8-5-10(14)11(15)6-9(8)12/h2-4,10-11,14-15H,5-6H2,1H3
InChIKey
KJHALSUYGSKPQA-UHFFFAOYSA-N
Compound name
(6,7-dihydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.0892 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 146.2
[M+Na]+ 245.07842 153.4
[M-H]- 221.08192 148.1
[M+NH4]+ 240.12302 164.5
[M+K]+ 261.05236 150.9
[M+H-H2O]+ 205.08646 140.8
[M+HCOO]- 267.08740 163.7
[M+CH3COO]- 281.10305 184.7
[M+Na-2H]- 243.06387 150.0
[M]+ 222.08865 145.0
[M]- 222.08975 145.0
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