CID 129461

C 8778-go

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCCCN1C(=C(C2=C1CC(CC2=O)(C)C)CC(=O)O)C
InChI
InChI=1S/C17H25NO3/c1-5-6-7-18-11(2)12(8-15(20)21)16-13(18)9-17(3,4)10-14(16)19/h5-10H2,1-4H3,(H,20,21)
InChIKey
SASMKVAGXNJWKP-UHFFFAOYSA-N
Compound name
2-(1-butyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 168.5
[M+Na]+ 314.17266 177.0
[M-H]- 290.17616 170.5
[M+NH4]+ 309.21726 187.8
[M+K]+ 330.14660 173.1
[M+H-H2O]+ 274.18070 163.5
[M+HCOO]- 336.18164 185.2
[M+CH3COO]- 350.19729 204.4
[M+Na-2H]- 312.15811 167.8
[M]+ 291.18289 171.2
[M]- 291.18399 171.2
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

No patent data available for this compound.