CID 19766962

2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CC(C2=CC=CC=C2C1)OCC(=O)O
InChI
InChI=1S/C12H14O3/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11H,3,5,7-8H2,(H,13,14)
InChIKey
BYFHZBLEBSOMPZ-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.4
[M+Na]+ 229.08352 149.2
[M-H]- 205.08702 145.9
[M+NH4]+ 224.12812 162.4
[M+K]+ 245.05746 146.8
[M+H-H2O]+ 189.09156 137.4
[M+HCOO]- 251.09250 162.3
[M+CH3COO]- 265.10815 183.2
[M+Na-2H]- 227.06897 148.9
[M]+ 206.09375 141.8
[M]- 206.09485 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

No literature data available for this compound.

Patent stripe

patents stripe