CID 9881783

2-(anthracen-9-ylmethoxy)acetic acid

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2COCC(=O)O
InChI
InChI=1S/C17H14O3/c18-17(19)11-20-10-16-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13)16/h1-9H,10-11H2,(H,18,19)
InChIKey
KUQQERYGHQCVDK-UHFFFAOYSA-N
Compound name
2-(anthracen-9-ylmethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

266.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 157.8
[M+Na]+ 289.08352 166.6
[M-H]- 265.08702 162.1
[M+NH4]+ 284.12812 175.6
[M+K]+ 305.05746 161.9
[M+H-H2O]+ 249.09156 150.6
[M+HCOO]- 311.09250 178.9
[M+CH3COO]- 325.10815 196.3
[M+Na-2H]- 287.06897 166.0
[M]+ 266.09375 161.2
[M]- 266.09485 161.2
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