CID 4339877

3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid

Structural Information

Molecular Formula
C13H16O2
SMILES
C1CC2=CC=CC=C2CC1CCC(=O)O
InChI
InChI=1S/C13H16O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-4,10H,5-9H2,(H,14,15)
InChIKey
UXSTWPJLEBGWSJ-UHFFFAOYSA-N
Compound name
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.0
[M+Na]+ 227.10426 150.5
[M-H]- 203.10776 147.4
[M+NH4]+ 222.14886 164.2
[M+K]+ 243.07820 147.3
[M+H-H2O]+ 187.11230 139.1
[M+HCOO]- 249.11324 163.4
[M+CH3COO]- 263.12889 184.1
[M+Na-2H]- 225.08971 150.0
[M]+ 204.11449 142.3
[M]- 204.11559 142.3
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