CID 53249814

885272-44-6

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)N
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8,14H2,1-3H3
InChIKey
IGGCXTTVKSYIIK-UHFFFAOYSA-N
Compound name
tert-butyl 7-amino-2,3-dihydroindole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

234.13683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 155.3
[M+Na]+ 257.126048 162.8
[M-H]- 233.129554 158.2
[M+NH4]+ 252.170653 174.7
[M+K]+ 273.099988 160.5
[M+H-H2O]+ 217.134090 149.3
[M+HCOO]- 279.135031 174.9
[M+CH3COO]- 293.150681 192.7
[M+Na-2H]- 255.111496 158.8
[M]+ 234.13628142 155.1
[M]- 234.13737858 155.1
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