CID 21865437

1-boc-5-formylindoline

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)C=O
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-7-6-11-8-10(9-16)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3
InChIKey
BXALJGGFHGKPIM-UHFFFAOYSA-N
Compound name
tert-butyl 5-formyl-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

247.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.4
[M+Na]+ 270.11007 166.9
[M+NH4]+ 265.15467 163.4
[M+K]+ 286.08401 163.8
[M-H]- 246.11357 156.1
[M+Na-2H]- 268.09552 159.7
[M]+ 247.12030 157.6
[M]- 247.12140 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe