CID 3021753

Brn 5542326

Structural Information

Molecular Formula
C16H16O3
SMILES
CC(C)C(=O)C1=CC2=C(C=C1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C16H16O3/c1-10(2)16(19)14-6-5-12-7-11(8-15(17)18)3-4-13(12)9-14/h3-7,9-10H,8H2,1-2H3,(H,17,18)
InChIKey
DYQZFKYDCVBNCQ-UHFFFAOYSA-N
Compound name
2-[6-(2-methylpropanoyl)naphthalen-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 157.6
[M+Na]+ 279.09917 170.0
[M+NH4]+ 274.14377 165.1
[M+K]+ 295.07311 164.3
[M-H]- 255.10267 159.0
[M+Na-2H]- 277.08462 162.6
[M]+ 256.10940 159.7
[M]- 256.11050 159.7
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.