CID 62740441

1-ethyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C13H16O2
SMILES
CCC1(CCCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H16O2/c1-2-13(12(14)15)9-5-7-10-6-3-4-8-11(10)13/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,15)
InChIKey
BKXUSWUZCVUOFF-UHFFFAOYSA-N
Compound name
1-ethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 146.1
[M+Na]+ 227.10426 158.2
[M+NH4]+ 222.14886 156.6
[M+K]+ 243.07820 149.6
[M-H]- 203.10776 148.4
[M+Na-2H]- 225.08971 153.0
[M]+ 204.11449 148.6
[M]- 204.11559 148.6
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

No patent data available for this compound.