CID 12725190

76429-68-0

Structural Information

Molecular Formula
C9H10O
SMILES
CC1=CC2=C(C=C1)OCC2
InChI
InChI=1S/C9H10O/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6H,4-5H2,1H3
InChIKey
OLHBKXYPKCHVNW-UHFFFAOYSA-N
Compound name
5-methyl-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1373
Patents

134.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 124.0
[M+Na]+ 157.06239 132.9
[M-H]- 133.06589 129.5
[M+NH4]+ 152.10699 147.8
[M+K]+ 173.03633 132.1
[M+H-H2O]+ 117.07043 119.4
[M+HCOO]- 179.07137 147.2
[M+CH3COO]- 193.08702 139.3
[M+Na-2H]- 155.04784 132.3
[M]+ 134.07262 124.5
[M]- 134.07372 124.5
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