CID 69689004

Tert-butyl 2-cyanoazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)OC(=O)N1CCC1C#N
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-5H2,1-3H3
InChIKey
WUFVFANOTQZHBP-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

182.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 136.8
[M+Na]+ 205.09475 143.6
[M-H]- 181.09825 138.9
[M+NH4]+ 200.13935 148.0
[M+K]+ 221.06869 147.8
[M+H-H2O]+ 165.10279 120.2
[M+HCOO]- 227.10373 151.9
[M+CH3COO]- 241.11938 196.5
[M+Na-2H]- 203.08020 140.9
[M]+ 182.10498 140.6
[M]- 182.10608 140.6
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