CID 80499559

1502077-61-3

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1(C2=CC=CC=C2N(C1=O)CC(C)(C(=O)O)O)C
InChI
InChI=1S/C14H17NO4/c1-13(2)9-6-4-5-7-10(9)15(11(13)16)8-14(3,19)12(17)18/h4-7,19H,8H2,1-3H3,(H,17,18)
InChIKey
RQMVCWNYLUTZAJ-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2-oxoindol-1-yl)-2-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.6
[M+Na]+ 286.10497 167.9
[M+NH4]+ 281.14957 165.7
[M+K]+ 302.07891 164.6
[M-H]- 262.10847 156.7
[M+Na-2H]- 284.09042 161.8
[M]+ 263.11520 159.2
[M]- 263.11630 159.2
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.