CID 165686204

2228416-37-1

Structural Information

Molecular Formula
C11H20BrNO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCCBr
InChI
InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-9(8-13)5-4-6-12/h9H,4-8H2,1-3H3
InChIKey
HAHZIISZVYEPSU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromopropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06775 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07503 152.6
[M+Na]+ 300.05697 160.9
[M-H]- 276.06047 157.0
[M+NH4]+ 295.10157 165.6
[M+K]+ 316.03091 154.1
[M+H-H2O]+ 260.06501 147.7
[M+HCOO]- 322.06595 168.0
[M+CH3COO]- 336.08160 198.6
[M+Na-2H]- 298.04242 157.1
[M]+ 277.06720 180.3
[M]- 277.06830 180.3
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.