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 153.1
[M+Na]+ 249.12096 157.8
[M-H]- 225.12446 156.2
[M+NH4]+ 244.16556 164.1
[M+K]+ 265.09490 160.8
[M+H-H2O]+ 209.12900 141.2
[M+HCOO]- 271.12994 173.4
[M+CH3COO]- 285.14559 196.2
[M+Na-2H]- 247.10641 156.7
[M]+ 226.13119 164.5
[M]- 226.13229 164.5
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.