CID 10536899

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
COC1=CC2=C(C=C1)C(CCC2)CC(=O)O
InChI
InChI=1S/C13H16O3/c1-16-11-5-6-12-9(7-11)3-2-4-10(12)8-13(14)15/h5-7,10H,2-4,8H2,1H3,(H,14,15)
InChIKey
XSGCUQLKTRSCDY-UHFFFAOYSA-N
Compound name
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

220.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 147.7
[M+Na]+ 243.099158 154.0
[M-H]- 219.102664 150.4
[M+NH4]+ 238.143763 166.5
[M+K]+ 259.073098 151.4
[M+H-H2O]+ 203.107200 141.7
[M+HCOO]- 265.108141 166.2
[M+CH3COO]- 279.123791 187.4
[M+Na-2H]- 241.084606 152.0
[M]+ 220.10939142 146.8
[M]- 220.11048858 146.8
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

patents stripe