CID 57585894

322692-47-7

Structural Information

Molecular Formula
C14H18BrNO2
SMILES
CC(C)(C)OC(=O)NC1CC2=C(C1)C=C(C=C2)Br
InChI
InChI=1S/C14H18BrNO2/c1-14(2,3)18-13(17)16-12-7-9-4-5-11(15)6-10(9)8-12/h4-6,12H,7-8H2,1-3H3,(H,16,17)
InChIKey
OZFRRBAQUPMUJA-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

311.0521 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.05938 166.8
[M+Na]+ 334.04132 167.3
[M+NH4]+ 329.08592 170.9
[M+K]+ 350.01526 169.2
[M-H]- 310.04482 166.6
[M+Na-2H]- 332.02677 167.2
[M]+ 311.05155 165.4
[M]- 311.05265 165.4
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