CID 58438953

Tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)C#N
InChI
InChI=1S/C10H16N2O3/c1-9(2,3)15-8(14)12-5-10(4-11,6-12)7-13/h13H,5-7H2,1-3H3
InChIKey
PBBOGMQFWAYUKJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

212.11609 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 146.4
[M+Na]+ 235.105308 153.2
[M-H]- 211.108814 147.5
[M+NH4]+ 230.149913 157.6
[M+K]+ 251.079248 156.6
[M+H-H2O]+ 195.113350 131.0
[M+HCOO]- 257.114291 160.0
[M+CH3COO]- 271.129941 198.2
[M+Na-2H]- 233.090756 150.5
[M]+ 212.11554142 150.4
[M]- 212.11663858 150.4
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