CID 49758854

Tert-butyl 4-formyl-1h-indole-1-carboxylate

Structural Information

Molecular Formula
C14H15NO3
SMILES
CC(C)(C)OC(=O)N1C=CC2=C(C=CC=C21)C=O
InChI
InChI=1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-7-11-10(9-16)5-4-6-12(11)15/h4-9H,1-3H3
InChIKey
RWNVMURXKFVIHP-UHFFFAOYSA-N
Compound name
tert-butyl 4-formylindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

245.1052 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 155.1
[M+Na]+ 268.09442 165.3
[M-H]- 244.09792 159.3
[M+NH4]+ 263.13902 174.7
[M+K]+ 284.06836 162.8
[M+H-H2O]+ 228.10246 149.2
[M+HCOO]- 290.10340 177.3
[M+CH3COO]- 304.11905 192.0
[M+Na-2H]- 266.07987 160.6
[M]+ 245.10465 160.7
[M]- 245.10575 160.7
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