CID 57516625

1334675-26-1

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CCC1(CN(C1)C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C11H18N2O2/c1-5-11(6-12)7-13(8-11)9(14)15-10(2,3)4/h5,7-8H2,1-4H3
InChIKey
FHEUSLDCXWJCHO-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-ethylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 146.1
[M+Na]+ 233.126048 153.2
[M-H]- 209.129554 148.4
[M+NH4]+ 228.170653 158.2
[M+K]+ 249.099988 156.5
[M+H-H2O]+ 193.134090 130.7
[M+HCOO]- 255.135031 160.7
[M+CH3COO]- 269.150681 201.3
[M+Na-2H]- 231.111496 150.3
[M]+ 210.13628142 150.9
[M]- 210.13737858 150.9
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