CID 122155818

2-[7-(methoxycarbonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid

Structural Information

Molecular Formula
C14H16O4
SMILES
COC(=O)C1=CC2=C(CCCC2CC(=O)O)C=C1
InChI
InChI=1S/C14H16O4/c1-18-14(17)11-6-5-9-3-2-4-10(8-13(15)16)12(9)7-11/h5-7,10H,2-4,8H2,1H3,(H,15,16)
InChIKey
FDQUTDCTRXZYFY-UHFFFAOYSA-N
Compound name
2-(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10486 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11214 154.0
[M+Na]+ 271.09408 159.8
[M-H]- 247.09758 156.6
[M+NH4]+ 266.13868 171.4
[M+K]+ 287.06802 157.6
[M+H-H2O]+ 231.10212 147.9
[M+HCOO]- 293.10306 171.5
[M+CH3COO]- 307.11871 192.0
[M+Na-2H]- 269.07953 156.7
[M]+ 248.10431 153.5
[M]- 248.10541 153.5
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.