CID 83764150

Tert-butyl n-(5-bromo-2,3-dihydro-1h-indol-3-yl)carbamate

Structural Information

Molecular Formula
C13H17BrN2O2
SMILES
CC(C)(C)OC(=O)NC1CNC2=C1C=C(C=C2)Br
InChI
InChI=1S/C13H17BrN2O2/c1-13(2,3)18-12(17)16-11-7-15-10-5-4-8(14)6-9(10)11/h4-6,11,15H,7H2,1-3H3,(H,16,17)
InChIKey
SWZQHWCFOYLSEB-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-2,3-dihydro-1H-indol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.04733 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.05461 168.4
[M+Na]+ 335.03655 178.3
[M-H]- 311.04005 172.9
[M+NH4]+ 330.08115 187.7
[M+K]+ 351.01049 166.7
[M+H-H2O]+ 295.04459 168.0
[M+HCOO]- 357.04553 184.7
[M+CH3COO]- 371.06118 200.1
[M+Na-2H]- 333.02200 173.1
[M]+ 312.04678 185.8
[M]- 312.04788 185.8
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

No patent data available for this compound.