CID 11206018

Tert-butyl 2,5-dihydrofuran-3-carboxylate

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(C)(C)OC(=O)C1=CCOC1
InChI
InChI=1S/C9H14O3/c1-9(2,3)12-8(10)7-4-5-11-6-7/h4H,5-6H2,1-3H3
InChIKey
SEBXANQHCVSIRF-UHFFFAOYSA-N
Compound name
tert-butyl 2,5-dihydrofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 136.3
[M+Na]+ 193.083518 143.2
[M-H]- 169.087024 140.5
[M+NH4]+ 188.128123 157.3
[M+K]+ 209.057458 144.5
[M+H-H2O]+ 153.091560 131.8
[M+HCOO]- 215.092501 157.6
[M+CH3COO]- 229.108151 176.7
[M+Na-2H]- 191.068966 142.0
[M]+ 170.09375142 138.5
[M]- 170.09484858 138.5
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