CID 68769

2-(2-isopropyl-5-indanyl)propionic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CC(C)C1CC2=C(C1)C=C(C=C2)C(C)C(=O)O
InChI
InChI=1S/C15H20O2/c1-9(2)13-7-12-5-4-11(6-14(12)8-13)10(3)15(16)17/h4-6,9-10,13H,7-8H2,1-3H3,(H,16,17)
InChIKey
RYDUZJFCKYTEHX-UHFFFAOYSA-N
Compound name
2-(2-propan-2-yl-2,3-dihydro-1H-inden-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1271
Patents

232.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 155.9
[M+Na]+ 255.135548 161.8
[M-H]- 231.139054 158.8
[M+NH4]+ 250.180153 176.1
[M+K]+ 271.109488 159.0
[M+H-H2O]+ 215.143590 150.7
[M+HCOO]- 277.144531 173.7
[M+CH3COO]- 291.160181 192.6
[M+Na-2H]- 253.120996 155.1
[M]+ 232.14578142 155.2
[M]- 232.14687858 155.2
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