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]+ 268.15434 159.6
[M+Na]+ 290.13628 164.5
[M-H]- 266.13978 159.9
[M+NH4]+ 285.18088 167.2
[M+K]+ 306.11022 168.2
[M+H-H2O]+ 250.14432 142.9
[M+HCOO]- 312.14526 169.8
[M+CH3COO]- 326.16091 206.7
[M+Na-2H]- 288.12173 158.6
[M]+ 267.14651 164.7
[M]- 267.14761 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.