CID 3834220

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CCC2=C(C1)C=CC(=C2)OCC(=O)O
InChI
InChI=1S/C12H14O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h5-7H,1-4,8H2,(H,13,14)
InChIKey
WCKYBLCGUSVWQI-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

7
Patents

206.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 143.4
[M+Na]+ 229.083518 149.2
[M-H]- 205.087024 145.9
[M+NH4]+ 224.128123 162.4
[M+K]+ 245.057458 146.8
[M+H-H2O]+ 189.091560 137.4
[M+HCOO]- 251.092501 162.3
[M+CH3COO]- 265.108151 183.2
[M+Na-2H]- 227.068966 148.9
[M]+ 206.09375142 141.8
[M]- 206.09484858 141.8
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