CID 53234188

142253-58-5

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC#N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4,6-7H2,1-3H3
InChIKey
QRZNHJHKTCPFAO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

196.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 140.9
[M+Na]+ 219.11041 147.3
[M-H]- 195.11391 142.8
[M+NH4]+ 214.15501 151.6
[M+K]+ 235.08435 151.3
[M+H-H2O]+ 179.11845 124.1
[M+HCOO]- 241.11939 155.6
[M+CH3COO]- 255.13504 199.1
[M+Na-2H]- 217.09586 144.4
[M]+ 196.12064 145.0
[M]- 196.12174 145.0
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