CID 91758945

Tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCC1(CN(C1)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C11H21NO3/c1-5-11(8-13)6-12(7-11)9(14)15-10(2,3)4/h13H,5-8H2,1-4H3
InChIKey
UZGKJBDWKKBQKC-UHFFFAOYSA-N
Compound name
tert-butyl 3-ethyl-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

215.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 153.3
[M+Na]+ 238.14137 158.4
[M-H]- 214.14487 154.1
[M+NH4]+ 233.18597 165.9
[M+K]+ 254.11531 160.9
[M+H-H2O]+ 198.14941 144.0
[M+HCOO]- 260.15035 169.3
[M+CH3COO]- 274.16600 188.4
[M+Na-2H]- 236.12682 156.8
[M]+ 215.15160 163.6
[M]- 215.15270 163.6
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