CID 19622716

4-(2,3-dihydro-1h-inden-5-yloxy)butanoic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CC2=C(C1)C=C(C=C2)OCCCC(=O)O
InChI
InChI=1S/C13H16O3/c14-13(15)5-2-8-16-12-7-6-10-3-1-4-11(10)9-12/h6-7,9H,1-5,8H2,(H,14,15)
InChIKey
MQCWTCZQSLOSNO-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-inden-5-yloxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 149.7
[M+Na]+ 243.099158 156.0
[M-H]- 219.102664 152.4
[M+NH4]+ 238.143763 170.1
[M+K]+ 259.073098 153.2
[M+H-H2O]+ 203.107200 144.0
[M+HCOO]- 265.108141 170.4
[M+CH3COO]- 279.123791 185.7
[M+Na-2H]- 241.084606 153.1
[M]+ 220.10939142 150.6
[M]- 220.11048858 150.6
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.