CID 84825

Rosefuran

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=C(OC=C1)CC=C(C)C
InChI
InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3
InChIKey
UTSGPHXOHJSDBC-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methylbut-2-enyl)furan
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

436
Patents

150.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 132.9
[M+Na]+ 173.093678 141.0
[M-H]- 149.097184 137.4
[M+NH4]+ 168.138283 155.1
[M+K]+ 189.067618 140.4
[M+H-H2O]+ 133.101720 128.2
[M+HCOO]- 195.102661 156.4
[M+CH3COO]- 209.118311 176.9
[M+Na-2H]- 171.079126 137.5
[M]+ 150.10391142 134.9
[M]- 150.10500858 134.9
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