CID 146049440

2411298-59-2

Structural Information

Molecular Formula
C16H15NO4
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1C#CC(=O)O
InChI
InChI=1S/C16H15NO4/c1-16(2,3)21-15(20)17-12(8-9-14(18)19)10-11-6-4-5-7-13(11)17/h4-7,10H,1-3H3,(H,18,19)
InChIKey
NZYJHSGSZACNGW-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1001 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.8
[M+Na]+ 308.08932 174.3
[M+NH4]+ 303.13392 166.0
[M+K]+ 324.06326 168.6
[M-H]- 284.09282 154.6
[M+Na-2H]- 306.07477 164.1
[M]+ 285.09955 161.7
[M]- 285.10065 161.7
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.