CID 146082447

2408971-24-2

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(CC#C)C(=O)OC
InChI
InChI=1S/C14H21NO4/c1-6-7-11(12(16)18-5)10-8-15(9-10)13(17)19-14(2,3)4/h1,10-11H,7-9H2,2-5H3
InChIKey
IUNIRIQUHZIONQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-methoxy-1-oxopent-4-yn-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 159.6
[M+Na]+ 290.136278 164.5
[M-H]- 266.139784 159.9
[M+NH4]+ 285.180883 167.2
[M+K]+ 306.110218 168.2
[M+H-H2O]+ 250.144320 142.9
[M+HCOO]- 312.145261 169.8
[M+CH3COO]- 326.160911 206.7
[M+Na-2H]- 288.121726 158.6
[M]+ 267.14651142 164.7
[M]- 267.14760858 164.7
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.