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]+ 225.148526 151.1
[M+Na]+ 247.130468 158.8
[M-H]- 223.133974 153.4
[M+NH4]+ 242.175073 168.0
[M+K]+ 263.104408 156.8
[M+H-H2O]+ 207.138510 140.5
[M+HCOO]- 269.139451 162.8
[M+CH3COO]- 283.155101 194.9
[M+Na-2H]- 245.115916 155.6
[M]+ 224.14070142 145.8
[M]- 224.14179858 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.