CID 228527

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

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC2=C(C1)C=CC(=C2)CC(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H,13,14)
InChIKey
ALYBIMJZZHULRK-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 140.3
[M+Na]+ 213.088598 146.3
[M-H]- 189.092104 142.9
[M+NH4]+ 208.133203 160.1
[M+K]+ 229.062538 143.3
[M+H-H2O]+ 173.096640 134.6
[M+HCOO]- 235.097581 159.0
[M+CH3COO]- 249.113231 181.1
[M+Na-2H]- 211.074046 145.9
[M]+ 190.09883142 137.3
[M]- 190.09992858 137.3
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