CID 71306066

Tert-butyl 3-(pyrrolidin-3-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2CCNC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-10(8-14)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKey
BRSVASFRYDNVEP-UHFFFAOYSA-N
Compound name
tert-butyl 3-pyrrolidin-3-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 154.9
[M+Na]+ 249.157338 157.9
[M-H]- 225.160844 156.6
[M+NH4]+ 244.201943 164.9
[M+K]+ 265.131278 159.3
[M+H-H2O]+ 209.165380 143.0
[M+HCOO]- 271.166321 168.5
[M+CH3COO]- 285.181971 188.8
[M+Na-2H]- 247.142786 155.0
[M]+ 226.16757142 159.8
[M]- 226.16866858 159.8
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