CID 45789216

1-(tert-butoxycarbonyl)-3-(cyanomethylene)azetidine

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC(C)(C)OC(=O)N1CC(=CC#N)C1
InChI
InChI=1S/C10H14N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h4H,6-7H2,1-3H3
InChIKey
BESFCRTTXQYNBW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

635
Patents

194.10553 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 141.2
[M+Na]+ 217.09475 148.0
[M-H]- 193.09825 143.2
[M+NH4]+ 212.13935 152.0
[M+K]+ 233.06869 151.4
[M+H-H2O]+ 177.10279 124.5
[M+HCOO]- 239.10373 156.1
[M+CH3COO]- 253.11938 197.7
[M+Na-2H]- 215.08020 144.7
[M]+ 194.10498 144.6
[M]- 194.10608 144.6
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

No patent data available for this compound.