CID 3021754

Brn 5528216

Structural Information

Molecular Formula
C16H18O2
SMILES
CC(C)CC1=CC2=C(C=C1)C=C(C=C2)CC(=O)O
InChI
InChI=1S/C16H18O2/c1-11(2)7-12-3-5-15-9-13(10-16(17)18)4-6-14(15)8-12/h3-6,8-9,11H,7,10H2,1-2H3,(H,17,18)
InChIKey
CJOVLAFQKCRCFU-UHFFFAOYSA-N
Compound name
2-[6-(2-methylpropyl)naphthalen-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.9
[M+Na]+ 265.11990 162.7
[M-H]- 241.12340 158.9
[M+NH4]+ 260.16450 173.9
[M+K]+ 281.09384 159.0
[M+H-H2O]+ 225.12794 149.6
[M+HCOO]- 287.12888 175.0
[M+CH3COO]- 301.14453 194.5
[M+Na-2H]- 263.10535 159.3
[M]+ 242.13013 156.8
[M]- 242.13123 156.8
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.