CID 138903

2-tert-butylfuran

Structural Information

Molecular Formula
C8H12O
SMILES
CC(C)(C)C1=CC=CO1
InChI
InChI=1S/C8H12O/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3
InChIKey
BGQBONSBNSNYIO-UHFFFAOYSA-N
Compound name
2-tert-butylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1695
Patents

124.08881 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.2
[M+Na]+ 147.07803 132.7
[M-H]- 123.08153 128.9
[M+NH4]+ 142.12263 147.4
[M+K]+ 163.05197 133.2
[M+H-H2O]+ 107.08607 120.2
[M+HCOO]- 169.08701 147.7
[M+CH3COO]- 183.10266 170.1
[M+Na-2H]- 145.06348 132.6
[M]+ 124.08826 126.0
[M]- 124.08936 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe