CID 12101

3-ethylphenol

Structural Information

Molecular Formula
C8H10O
SMILES
CCC1=CC(=CC=C1)O
InChI
InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChIKey
HMNKTRSOROOSPP-UHFFFAOYSA-N
Compound name
3-ethylphenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

23
References

15290
Patents

122.073166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 122.3
[M+Na]+ 145.06238 130.7
[M-H]- 121.06589 125.1
[M+NH4]+ 140.10699 144.4
[M+K]+ 161.03632 128.8
[M+H-H2O]+ 105.07043 117.5
[M+HCOO]- 167.07137 146.0
[M+CH3COO]- 181.08702 168.8
[M+Na-2H]- 143.04783 130.0
[M]+ 122.07262 121.8
[M]- 122.07371 121.8
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