CID 66353

1-ethyl-3-methoxybenzene

Structural Information

Molecular Formula
C9H12O
SMILES
CCC1=CC(=CC=C1)OC
InChI
InChI=1S/C9H12O/c1-3-8-5-4-6-9(7-8)10-2/h4-7H,3H2,1-2H3
InChIKey
DWLZULQNIPIABE-UHFFFAOYSA-N
Compound name
1-ethyl-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4515
Patents

136.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 126.1
[M+Na]+ 159.07804 134.6
[M-H]- 135.08154 130.2
[M+NH4]+ 154.12264 148.4
[M+K]+ 175.05198 133.3
[M+H-H2O]+ 119.08608 120.9
[M+HCOO]- 181.08702 151.0
[M+CH3COO]- 195.10267 174.6
[M+Na-2H]- 157.06349 133.9
[M]+ 136.08827 128.0
[M]- 136.08937 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