CID 165599458

2171960-09-9

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)C2(CNC2)O
InChI
InChI=1S/C12H22N2O4/c1-10(2,3)18-9(16)14-6-11(7-14,8-15)12(17)4-13-5-12/h13,15,17H,4-8H2,1-3H3
InChIKey
GHEBWPCCPQKOOE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxyazetidin-3-yl)-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 166.1
[M+Na]+ 281.14718 168.1
[M-H]- 257.15068 165.7
[M+NH4]+ 276.19178 168.9
[M+K]+ 297.12112 172.1
[M+H-H2O]+ 241.15522 152.8
[M+HCOO]- 303.15616 175.1
[M+CH3COO]- 317.17181 198.0
[M+Na-2H]- 279.13263 168.1
[M]+ 258.15741 180.0
[M]- 258.15851 180.0
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.