CID 76058713

Tert-butyl 2-(hydroxymethyl)-3,3-dimethylazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H21NO3
SMILES
CC1(CN(C1CO)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C11H21NO3/c1-10(2,3)15-9(14)12-7-11(4,5)8(12)6-13/h8,13H,6-7H2,1-5H3
InChIKey
AKTHVEPVLSXJQD-UHFFFAOYSA-N
Compound name
tert-butyl 2-(hydroxymethyl)-3,3-dimethylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 152.6
[M+Na]+ 238.14137 158.6
[M-H]- 214.14487 153.8
[M+NH4]+ 233.18597 165.4
[M+K]+ 254.11531 161.1
[M+H-H2O]+ 198.14941 143.7
[M+HCOO]- 260.15035 168.6
[M+CH3COO]- 274.16600 189.6
[M+Na-2H]- 236.12682 155.5
[M]+ 215.15160 163.3
[M]- 215.15270 163.3
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