CID 165663048

2229426-11-1

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC2CNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10(8-14)4-9-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKey
OEMBIFIJWGOLER-UHFFFAOYSA-N
Compound name
tert-butyl 3-(azetidin-3-ylmethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 152.0
[M+Na]+ 249.157338 154.0
[M-H]- 225.160844 153.5
[M+NH4]+ 244.201943 153.9
[M+K]+ 265.131278 158.4
[M+H-H2O]+ 209.165380 135.7
[M+HCOO]- 271.166321 163.7
[M+CH3COO]- 285.181971 199.2
[M+Na-2H]- 247.142786 153.3
[M]+ 226.16757142 166.2
[M]- 226.16866858 166.2
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

No patent data available for this compound.