CID 68759266

Tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC(CC1CN(C1)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H23NO3/c1-9(8-14)5-10-6-13(7-10)11(15)16-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKey
STPPREIXYBFQMR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxy-2-methylpropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 158.5
[M+Na]+ 252.15702 162.0
[M-H]- 228.16052 158.8
[M+NH4]+ 247.20162 168.4
[M+K]+ 268.13096 164.7
[M+H-H2O]+ 212.16506 147.5
[M+HCOO]- 274.16600 173.2
[M+CH3COO]- 288.18165 192.6
[M+Na-2H]- 250.14247 159.0
[M]+ 229.16725 168.2
[M]- 229.16835 168.2
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