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 159.0
[M+Na]+ 286.10497 167.8
[M-H]- 262.10847 160.2
[M+NH4]+ 281.14957 178.3
[M+K]+ 302.07891 164.8
[M+H-H2O]+ 246.11301 154.8
[M+HCOO]- 308.11395 175.3
[M+CH3COO]- 322.12960 192.6
[M+Na-2H]- 284.09042 162.9
[M]+ 263.11520 160.5
[M]- 263.11630 160.5
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.