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 158.2
[M+Na]+ 284.08932 167.4
[M-H]- 260.09282 161.1
[M+NH4]+ 279.13392 176.2
[M+K]+ 300.06326 165.2
[M+H-H2O]+ 244.09736 152.5
[M+HCOO]- 306.09830 178.0
[M+CH3COO]- 320.11395 192.5
[M+Na-2H]- 282.07477 162.3
[M]+ 261.09955 162.7
[M]- 261.10065 162.7
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

patents stripe