CID 77951

2-butylbenzofuran

Structural Information

Molecular Formula
C12H14O
SMILES
CCCCC1=CC2=CC=CC=C2O1
InChI
InChI=1S/C12H14O/c1-2-3-7-11-9-10-6-4-5-8-12(10)13-11/h4-6,8-9H,2-3,7H2,1H3
InChIKey
OVJKFJDEVKABNF-UHFFFAOYSA-N
Compound name
2-butyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

335
Patents

174.10446 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 135.7
[M+Na]+ 197.09368 145.4
[M-H]- 173.09718 141.4
[M+NH4]+ 192.13828 158.1
[M+K]+ 213.06762 143.4
[M+H-H2O]+ 157.10172 130.5
[M+HCOO]- 219.10266 160.8
[M+CH3COO]- 233.11831 180.7
[M+Na-2H]- 195.07913 144.2
[M]+ 174.10391 140.1
[M]- 174.10501 140.1
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