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]+ 221.11722 149.7
[M+Na]+ 243.09916 156.0
[M-H]- 219.10266 152.4
[M+NH4]+ 238.14376 170.1
[M+K]+ 259.07310 153.2
[M+H-H2O]+ 203.10720 144.0
[M+HCOO]- 265.10814 170.4
[M+CH3COO]- 279.12379 185.7
[M+Na-2H]- 241.08461 153.1
[M]+ 220.10939 150.6
[M]- 220.11049 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.