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

216
Patents

187.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 144.0
[M+Na]+ 210.110068 150.0
[M-H]- 186.113574 145.2
[M+NH4]+ 205.154673 157.7
[M+K]+ 226.084008 152.9
[M+H-H2O]+ 170.118110 135.1
[M+HCOO]- 232.119051 160.7
[M+CH3COO]- 246.134701 182.6
[M+Na-2H]- 208.095516 148.6
[M]+ 187.12030142 153.6
[M]- 187.12139858 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