CID 7141911

Methyl 6-tert-butyl-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C14H17NO2
SMILES
CC(C)(C)C1=CC2=C(C=C1)C=C(N2)C(=O)OC
InChI
InChI=1S/C14H17NO2/c1-14(2,3)10-6-5-9-7-12(13(16)17-4)15-11(9)8-10/h5-8,15H,1-4H3
InChIKey
HEKOFOQCFMMTSH-UHFFFAOYSA-N
Compound name
methyl 6-tert-butyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 153.6
[M+Na]+ 254.11515 163.1
[M-H]- 230.11865 156.3
[M+NH4]+ 249.15975 173.2
[M+K]+ 270.08909 159.7
[M+H-H2O]+ 214.12319 148.0
[M+HCOO]- 276.12413 173.8
[M+CH3COO]- 290.13978 188.9
[M+Na-2H]- 252.10060 158.5
[M]+ 231.12538 156.6
[M]- 231.12648 156.6
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

No patent data available for this compound.