CID 122362329

Tert-butyl 3-(bromomethyl)-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H16BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CBr)O
InChI
InChI=1S/C9H16BrNO3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,4-6H2,1-3H3
InChIKey
HQQDJMWHMNPDOJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.03137 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03865 146.3
[M+Na]+ 288.02059 155.4
[M-H]- 264.02409 150.0
[M+NH4]+ 283.06519 160.8
[M+K]+ 303.99453 148.8
[M+H-H2O]+ 248.02863 143.1
[M+HCOO]- 310.02957 161.1
[M+CH3COO]- 324.04522 192.3
[M+Na-2H]- 286.00604 152.6
[M]+ 265.03082 173.3
[M]- 265.03192 173.3
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

patents stripe