CID 58438953

1228581-13-2

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

33
Patents

212.11609 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 146.4
[M+Na]+ 235.10531 153.2
[M-H]- 211.10881 147.5
[M+NH4]+ 230.14991 157.6
[M+K]+ 251.07925 156.6
[M+H-H2O]+ 195.11335 131.0
[M+HCOO]- 257.11429 160.0
[M+CH3COO]- 271.12994 198.2
[M+Na-2H]- 233.09076 150.5
[M]+ 212.11554 150.4
[M]- 212.11664 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