CID 3593471

25178-60-3

Structural Information

Molecular Formula
C18H14O4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CC(=O)O)CC(=O)O
InChI
InChI=1S/C18H14O4/c19-17(20)9-15-11-5-1-2-6-12(11)16(10-18(21)22)14-8-4-3-7-13(14)15/h1-8H,9-10H2,(H,19,20)(H,21,22)
InChIKey
BBDHEBFBEPYAMC-UHFFFAOYSA-N
Compound name
2-[10-(carboxymethyl)anthracen-9-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

294.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.4
[M+Na]+ 317.07842 172.9
[M-H]- 293.08192 167.6
[M+NH4]+ 312.12302 180.3
[M+K]+ 333.05236 168.0
[M+H-H2O]+ 277.08646 157.5
[M+HCOO]- 339.08740 182.9
[M+CH3COO]- 353.10305 200.5
[M+Na-2H]- 315.06387 169.8
[M]+ 294.08865 166.9
[M]- 294.08975 166.9
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