CID 121207694

Tert-butyl 3,3-bis(bromomethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H17Br2NO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CBr)CBr
InChI
InChI=1S/C10H17Br2NO2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7H2,1-3H3
InChIKey
PTPMUVBEPVNPSQ-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-bis(bromomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

340.9626 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.96988 143.5
[M+Na]+ 363.95182 152.4
[M-H]- 339.95532 149.0
[M+NH4]+ 358.99642 157.3
[M+K]+ 379.92576 140.4
[M+H-H2O]+ 323.95986 148.6
[M+HCOO]- 385.96080 155.2
[M+CH3COO]- 399.97645 210.7
[M+Na-2H]- 361.93727 150.1
[M]+ 340.96205 184.4
[M]- 340.96315 184.4
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

patents stripe