CID 231978

2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC2=C(C1)C=CC=C2CC(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6H,1-2,4,7-8H2,(H,13,14)
InChIKey
HBYIJKKZLCCVML-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

No literature data available for this compound.

Patent stripe

patents stripe