CID 72207052

1823511-02-9

Structural Information

Molecular Formula
C14H20BrNO2
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C14H20BrNO2/c1-14(2,3)18-13(17)16-10-12-6-4-11(5-7-12)8-9-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKey
JIILHSPIMUXCND-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(2-bromoethyl)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.06775 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.07503 167.8
[M+Na]+ 336.05697 176.7
[M-H]- 312.06047 173.5
[M+NH4]+ 331.10157 186.1
[M+K]+ 352.03091 165.4
[M+H-H2O]+ 296.06501 166.7
[M+HCOO]- 358.06595 187.1
[M+CH3COO]- 372.08160 203.8
[M+Na-2H]- 334.04242 173.0
[M]+ 313.06720 188.2
[M]- 313.06830 188.2
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.