CID 59420791

1-[(tert-butoxy)carbonyl]-3-isocyanoazetidine

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)[N+]#[C-]
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-7(6-11)10-4/h7H,5-6H2,1-3H3
InChIKey
WQNKVCBTKHBXHN-UHFFFAOYSA-N
Compound name
tert-butyl 3-isocyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

182.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.2
[M+Na]+ 205.09475 146.6
[M-H]- 181.09825 141.1
[M+NH4]+ 200.13935 150.6
[M+K]+ 221.06869 145.9
[M+H-H2O]+ 165.10279 128.0
[M+HCOO]- 227.10373 154.4
[M+CH3COO]- 241.11938 187.7
[M+Na-2H]- 203.08020 145.4
[M]+ 182.10498 140.4
[M]- 182.10608 140.4
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