CID 168354692

Hyyigmfvsgbigr-uhfffaoysa-n

Structural Information

Molecular Formula
C16H14O3
SMILES
C1=CC2=C3C4C(C=C(C=C4C=C2)O)C(C(C3=C1)O)O
InChI
InChI=1S/C16H14O3/c17-10-6-9-5-4-8-2-1-3-11-13(8)14(9)12(7-10)16(19)15(11)18/h1-7,12,14-19H
InChIKey
HYYIGMFVSGBIGR-UHFFFAOYSA-N
Compound name
3a,4,5,10b-tetrahydropyrene-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 155.0
[M+Na]+ 277.08352 163.1
[M-H]- 253.08702 156.2
[M+NH4]+ 272.12812 173.9
[M+K]+ 293.05746 157.7
[M+H-H2O]+ 237.09156 148.8
[M+HCOO]- 299.09250 168.1
[M+CH3COO]- 313.10815 165.8
[M+Na-2H]- 275.06897 161.9
[M]+ 254.09375 153.8
[M]- 254.09485 153.8
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

No patent data available for this compound.