CID 52988051

1032350-06-3

Structural Information

Molecular Formula
C15H20BrNO2
SMILES
CC(C)(C)OC(=O)NC1(CCC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO2/c1-14(2,3)19-13(18)17-15(9-4-10-15)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKey
DVTBDRZBNXFPLU-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-bromophenyl)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

325.06775 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.07503 164.0
[M+Na]+ 348.05697 171.4
[M-H]- 324.06047 172.4
[M+NH4]+ 343.10157 177.4
[M+K]+ 364.03091 163.9
[M+H-H2O]+ 308.06501 158.9
[M+HCOO]- 370.06595 181.5
[M+CH3COO]- 384.08160 207.0
[M+Na-2H]- 346.04242 169.9
[M]+ 325.06720 190.0
[M]- 325.06830 190.0
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