CID 165976074

Tert-butyl 3-(2-isocyanatoethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)CCN=C=O
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-9(7-13)4-5-12-8-14/h9H,4-7H2,1-3H3
InChIKey
BJIBDUPFXAXOJJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-isocyanatoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 156.7
[M+Na]+ 249.12096 160.4
[M+NH4]+ 244.16556 158.1
[M+K]+ 265.09490 158.2
[M-H]- 225.12446 152.8
[M+Na-2H]- 247.10641 156.4
[M]+ 226.13119 154.5
[M]- 226.13229 154.5
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.