CID 54751705

Tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3
InChIKey
DBJZEDYSQQXOOF-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

187.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.0
[M+Na]+ 210.11007 150.0
[M-H]- 186.11357 145.2
[M+NH4]+ 205.15467 157.7
[M+K]+ 226.08401 152.9
[M+H-H2O]+ 170.11811 135.1
[M+HCOO]- 232.11905 160.7
[M+CH3COO]- 246.13470 182.6
[M+Na-2H]- 208.09552 148.6
[M]+ 187.12030 153.6
[M]- 187.12140 153.6
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