CID 22344502

208772-42-3

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C14H15NO4/c1-14(2,3)19-13(18)15-7-6-9-4-5-10(12(16)17)8-11(9)15/h4-8H,1-3H3,(H,16,17)
InChIKey
BHQXLSBHVKFYJK-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

261.1001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.3
[M+Na]+ 284.08932 168.3
[M+NH4]+ 279.13392 163.3
[M+K]+ 300.06326 166.5
[M-H]- 260.09282 156.2
[M+Na-2H]- 282.07477 161.0
[M]+ 261.09955 158.4
[M]- 261.10065 158.4
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

patents stripe