CID 165679594

Tert-butyl 3-(2-methylbut-3-yn-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C)(C)C#C
InChI
InChI=1S/C13H21NO2/c1-7-13(5,6)10-8-14(9-10)11(15)16-12(2,3)4/h1,10H,8-9H2,2-6H3
InChIKey
LEZFYHSOEJMGMN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-methylbut-3-yn-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 151.8
[M+Na]+ 246.14645 158.2
[M-H]- 222.14995 152.7
[M+NH4]+ 241.19105 161.5
[M+K]+ 262.12039 161.0
[M+H-H2O]+ 206.15449 136.3
[M+HCOO]- 268.15543 162.3
[M+CH3COO]- 282.17108 200.8
[M+Na-2H]- 244.13190 154.1
[M]+ 223.15668 155.6
[M]- 223.15778 155.6
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

No patent data available for this compound.