CID 82490308

1262409-50-6

Structural Information

Molecular Formula
C15H20BrNO2
SMILES
CC1(CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-9-15(4,5)11-8-10(16)6-7-12(11)17/h6-8H,9H2,1-5H3
InChIKey
IRWXXSTYTJXIMA-UHFFFAOYSA-N
Compound name
tert-butyl 5-bromo-3,3-dimethyl-2H-indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

325.06775 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07503 170.2
[M+Na]+ 348.05697 182.6
[M-H]- 324.06047 176.6
[M+NH4]+ 343.10157 192.5
[M+K]+ 364.03091 171.9
[M+H-H2O]+ 308.06501 171.4
[M+HCOO]- 370.06595 186.6
[M+CH3COO]- 384.08160 204.1
[M+Na-2H]- 346.04242 174.8
[M]+ 325.06720 191.7
[M]- 325.06830 191.7
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