CID 56971684

936850-09-8

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C10H16N2O2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h6-7H2,1-4H3
InChIKey
KRXUECUCCJEQAJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

196.12119 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 142.1
[M+Na]+ 219.110408 149.6
[M-H]- 195.113914 144.6
[M+NH4]+ 214.155013 154.7
[M+K]+ 235.084348 153.1
[M+H-H2O]+ 179.118450 126.8
[M+HCOO]- 241.119391 156.9
[M+CH3COO]- 255.135041 198.7
[M+Na-2H]- 217.095856 146.7
[M]+ 196.12064142 146.6
[M]- 196.12173858 146.6
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

patents stripe