CID 167742282

Tert-butyl 3-amino-3-(2,3-dihydroxypropyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC(CO)O)N
InChI
InChI=1S/C11H22N2O4/c1-10(2,3)17-9(16)13-6-11(12,7-13)4-8(15)5-14/h8,14-15H,4-7,12H2,1-3H3
InChIKey
WIIDFZNDFZOJTB-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(2,3-dihydroxypropyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.15796 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16524 165.1
[M+Na]+ 269.14718 167.9
[M-H]- 245.15068 163.7
[M+NH4]+ 264.19178 174.6
[M+K]+ 285.12112 170.6
[M+H-H2O]+ 229.15522 154.7
[M+HCOO]- 291.15616 178.8
[M+CH3COO]- 305.17181 193.3
[M+Na-2H]- 267.13263 165.7
[M]+ 246.15741 172.3
[M]- 246.15851 172.3
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

No patent data available for this compound.