CID 2756801

141699-55-0

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h6,10H,4-5H2,1-3H3
InChIKey
XRRXRQJQQKMFBC-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4355
Patents

173.1052 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.7
[M+Na]+ 196.09442 144.2
[M-H]- 172.09792 139.6
[M+NH4]+ 191.13902 150.9
[M+K]+ 212.06836 147.3
[M+H-H2O]+ 156.10246 128.4
[M+HCOO]- 218.10340 155.7
[M+CH3COO]- 232.11905 180.1
[M+Na-2H]- 194.07987 142.6
[M]+ 173.10465 147.6
[M]- 173.10575 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe