CID 117531902

1904262-13-0

Structural Information

Molecular Formula
C14H21BrN2O2
SMILES
CC(C)(C)OC(=O)NCCC(C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-8-7-12(16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
InChIKey
HLDFLRXNWNQDQK-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-amino-3-(3-bromophenyl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

328.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08592 169.2
[M+Na]+ 351.06786 168.7
[M+NH4]+ 346.11246 171.9
[M+K]+ 367.04180 170.2
[M-H]- 327.07136 168.8
[M+Na-2H]- 349.05331 170.2
[M]+ 328.07809 167.6
[M]- 328.07919 167.6
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