CID 186748

(2,6-dimethylphenyl)methanol

Structural Information

Molecular Formula
C9H12O
SMILES
CC1=C(C(=CC=C1)C)CO
InChI
InChI=1S/C9H12O/c1-7-4-3-5-8(2)9(7)6-10/h3-5,10H,6H2,1-2H3
InChIKey
JPEYJQDKTDVJSZ-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1055
Patents

136.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 126.8
[M+Na]+ 159.07804 140.7
[M+NH4]+ 154.12264 136.3
[M+K]+ 175.05198 133.8
[M-H]- 135.08154 129.5
[M+Na-2H]- 157.06349 134.3
[M]+ 136.08827 129.6
[M]- 136.08937 129.6
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