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]+ 278.07503 157.7
[M+Na]+ 300.05697 168.4
[M-H]- 276.06047 164.6
[M+NH4]+ 295.10157 174.8
[M+K]+ 316.03091 158.0
[M+H-H2O]+ 260.06501 158.2
[M+HCOO]- 322.06595 175.8
[M+CH3COO]- 336.08160 200.1
[M+Na-2H]- 298.04242 163.4
[M]+ 277.06720 179.4
[M]- 277.06830 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.