CID 20037279

2-methyl-2,3-dihydro-1-benzofuran-5-ol

Structural Information

Molecular Formula
C9H10O2
SMILES
CC1CC2=C(O1)C=CC(=C2)O
InChI
InChI=1S/C9H10O2/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,10H,4H2,1H3
InChIKey
MCNGSWCPJVSXDN-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

150.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 127.5
[M+Na]+ 173.05730 136.9
[M-H]- 149.06080 132.0
[M+NH4]+ 168.10190 150.2
[M+K]+ 189.03124 135.6
[M+H-H2O]+ 133.06534 123.2
[M+HCOO]- 195.06628 149.4
[M+CH3COO]- 209.08193 172.6
[M+Na-2H]- 171.04275 134.7
[M]+ 150.06753 128.0
[M]- 150.06863 128.0
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