CID 165791936

En300-37373315

Structural Information

Molecular Formula
C11H17BrN2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CCBr)C#N
InChI
InChI=1S/C11H17BrN2O2/c1-10(2,3)16-9(15)14-7-11(6-13,8-14)4-5-12/h4-5,7-8H2,1-3H3
InChIKey
NEOYSQPORBZIPM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-bromoethyl)-3-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.04733 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.05461 145.4
[M+Na]+ 311.03655 155.7
[M-H]- 287.04005 148.9
[M+NH4]+ 306.08115 158.3
[M+K]+ 327.01049 149.8
[M+H-H2O]+ 271.04459 135.5
[M+HCOO]- 333.04553 160.4
[M+CH3COO]- 347.06118 209.2
[M+Na-2H]- 309.02200 151.3
[M]+ 288.04678 166.1
[M]- 288.04788 166.1
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.