CID 122155818

1955540-23-4

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]+ 249.112136 154.0
[M+Na]+ 271.094078 159.8
[M-H]- 247.097584 156.6
[M+NH4]+ 266.138683 171.4
[M+K]+ 287.068018 157.6
[M+H-H2O]+ 231.102120 147.9
[M+HCOO]- 293.103061 171.5
[M+CH3COO]- 307.118711 192.0
[M+Na-2H]- 269.079526 156.7
[M]+ 248.10431142 153.5
[M]- 248.10540858 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.