CID 89832936

1463502-41-1

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC#C
InChI
InChI=1S/C11H17NO2/c1-5-6-9-7-12(8-9)10(13)14-11(2,3)4/h1,9H,6-8H2,2-4H3
InChIKey
ZNCUKMXOJHHWHJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-prop-2-ynylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 140.7
[M+Na]+ 218.11515 147.6
[M-H]- 194.11865 141.6
[M+NH4]+ 213.15975 151.3
[M+K]+ 234.08909 150.3
[M+H-H2O]+ 178.12319 124.8
[M+HCOO]- 240.12413 153.2
[M+CH3COO]- 254.13978 195.2
[M+Na-2H]- 216.10060 143.4
[M]+ 195.12538 144.3
[M]- 195.12648 144.3
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