CID 18930981

N-cbz-n,n-bis(2-bromoethyl)amine

Structural Information

Molecular Formula
C12H15Br2NO2
SMILES
C1=CC=C(C=C1)COC(=O)N(CCBr)CCBr
InChI
InChI=1S/C12H15Br2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
KZXFVMMTKPFXAO-UHFFFAOYSA-N
Compound name
benzyl N,N-bis(2-bromoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

362.94696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.95424 159.8
[M+Na]+ 385.93618 167.7
[M-H]- 361.93968 166.6
[M+NH4]+ 380.98078 176.7
[M+K]+ 401.91012 152.8
[M+H-H2O]+ 345.94422 165.9
[M+HCOO]- 407.94516 176.1
[M+CH3COO]- 421.96081 214.9
[M+Na-2H]- 383.92163 165.1
[M]+ 362.94641 195.5
[M]- 362.94751 195.5
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

No patent data available for this compound.