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

65
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 169.8
[M+Na]+ 334.04132 179.8
[M-H]- 310.04482 176.7
[M+NH4]+ 329.08592 191.0
[M+K]+ 350.01526 168.8
[M+H-H2O]+ 294.04936 169.8
[M+HCOO]- 356.05030 188.4
[M+CH3COO]- 370.06595 202.8
[M+Na-2H]- 332.02677 174.2
[M]+ 311.05155 188.7
[M]- 311.05265 188.7
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