CID 18597

4-isopropyl-3-methylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=C(C=CC(=C1)O)C(C)C
InChI
InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
InChIKey
IJALWSVNUBBQRA-UHFFFAOYSA-N
Compound name
3-methyl-4-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

17750
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.7
[M+Na]+ 173.09368 145.0
[M+NH4]+ 168.13828 140.9
[M+K]+ 189.06762 138.7
[M-H]- 149.09718 134.1
[M+Na-2H]- 171.07913 138.5
[M]+ 150.10391 134.3
[M]- 150.10501 134.3
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