CID 137951811

Tert-butyl 4-(prop-2-yn-1-yl)oxane-4-carboxylate

Structural Information

Molecular Formula
C13H20O3
SMILES
CC(C)(C)OC(=O)C1(CCOCC1)CC#C
InChI
InChI=1S/C13H20O3/c1-5-6-13(7-9-15-10-8-13)11(14)16-12(2,3)4/h1H,6-10H2,2-4H3
InChIKey
QZCBHOYIJGRPJQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-prop-2-ynyloxane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.14125 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14853 151.1
[M+Na]+ 247.13047 158.8
[M-H]- 223.13397 153.4
[M+NH4]+ 242.17507 168.0
[M+K]+ 263.10441 156.8
[M+H-H2O]+ 207.13851 140.5
[M+HCOO]- 269.13945 162.8
[M+CH3COO]- 283.15510 194.9
[M+Na-2H]- 245.11592 155.6
[M]+ 224.14070 145.8
[M]- 224.14180 145.8
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.