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

6
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.3
[M+Na]+ 193.08352 143.2
[M-H]- 169.08702 140.5
[M+NH4]+ 188.12812 157.3
[M+K]+ 209.05746 144.5
[M+H-H2O]+ 153.09156 131.8
[M+HCOO]- 215.09250 157.6
[M+CH3COO]- 229.10815 176.7
[M+Na-2H]- 191.06897 142.0
[M]+ 170.09375 138.5
[M]- 170.09485 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