CID 236363

4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC2=C(C1)C=CC(=C2)CCCC(=O)O
InChI
InChI=1S/C14H18O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h8-10H,1-7H2,(H,15,16)
InChIKey
OMWKQAVCNOUAFO-UHFFFAOYSA-N
Compound name
4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 149.7
[M+Na]+ 241.11990 154.7
[M-H]- 217.12340 151.9
[M+NH4]+ 236.16450 168.3
[M+K]+ 257.09384 151.3
[M+H-H2O]+ 201.12794 143.5
[M+HCOO]- 263.12888 167.7
[M+CH3COO]- 277.14453 187.1
[M+Na-2H]- 239.10535 154.1
[M]+ 218.13013 147.3
[M]- 218.13123 147.3
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

patents stripe