CID 165944584

Tert-butyl n-{1-[1-(bromomethyl)cyclopropyl]ethyl}carbamate

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC(C1(CC1)CBr)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20BrNO2/c1-8(11(7-12)5-6-11)13-9(14)15-10(2,3)4/h8H,5-7H2,1-4H3,(H,13,14)
InChIKey
VPYQBOQQGPBKCK-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[1-(bromomethyl)cyclopropyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06775 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.075026 157.7
[M+Na]+ 300.056968 168.4
[M-H]- 276.060474 164.6
[M+NH4]+ 295.101573 174.8
[M+K]+ 316.030908 158.0
[M+H-H2O]+ 260.065010 158.2
[M+HCOO]- 322.065951 175.8
[M+CH3COO]- 336.081601 200.1
[M+Na-2H]- 298.042416 163.4
[M]+ 277.06720142 179.4
[M]- 277.06829858 179.4
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.