CID 2879

P-cresol

Structural Information

Molecular Formula
C7H8O
SMILES
CC1=CC=C(C=C1)O
InChI
InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
InChIKey
IWDCLRJOBJJRNH-UHFFFAOYSA-N
Compound name
4-methylphenol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

3683
References

120615
Patents

108.05752 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 117.5
[M+Na]+ 131.04674 126.4
[M-H]- 107.05024 120.5
[M+NH4]+ 126.09134 140.2
[M+K]+ 147.02068 124.7
[M+H-H2O]+ 91.054780 113.0
[M+HCOO]- 153.05572 141.6
[M+CH3COO]- 167.07137 165.7
[M+Na-2H]- 129.03219 125.9
[M]+ 108.05697 116.7
[M]- 108.05807 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.