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

26
Patents

195.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 140.7
[M+Na]+ 218.115148 147.6
[M-H]- 194.118654 141.6
[M+NH4]+ 213.159753 151.3
[M+K]+ 234.089088 150.3
[M+H-H2O]+ 178.123190 124.8
[M+HCOO]- 240.124131 153.2
[M+CH3COO]- 254.139781 195.2
[M+Na-2H]- 216.100596 143.4
[M]+ 195.12538142 144.3
[M]- 195.12647858 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