CID 56654447

Ubp684

Structural Information

Molecular Formula
C17H20O2
SMILES
CC(C)CCCC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C17H20O2/c1-12(2)4-3-5-13-6-7-15-11-16(17(18)19)9-8-14(15)10-13/h6-12H,3-5H2,1-2H3,(H,18,19)
InChIKey
ZQLORCYRMVILSV-UHFFFAOYSA-N
Compound name
6-(4-methylpentyl)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

256.14633 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.15361 160.6
[M+Na]+ 279.13555 167.0
[M-H]- 255.13905 163.4
[M+NH4]+ 274.18015 178.1
[M+K]+ 295.10949 163.1
[M+H-H2O]+ 239.14359 154.2
[M+HCOO]- 301.14453 179.4
[M+CH3COO]- 315.16018 197.5
[M+Na-2H]- 277.12100 163.4
[M]+ 256.14578 161.9
[M]- 256.14688 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe