CID 169279

Diisopropyl-m-cresol

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=C(C=CC(=C1C(C)C)O)C(C)C
InChI
InChI=1S/C13H20O/c1-8(2)11-6-7-12(14)13(9(3)4)10(11)5/h6-9,14H,1-5H3
InChIKey
NAOSNNNYJHAZGY-UHFFFAOYSA-N
Compound name
3-methyl-2,4-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

55
Patents

192.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 143.9
[M+Na]+ 215.14063 151.6
[M-H]- 191.14413 146.7
[M+NH4]+ 210.18523 163.7
[M+K]+ 231.11457 149.4
[M+H-H2O]+ 175.14867 138.9
[M+HCOO]- 237.14961 163.9
[M+CH3COO]- 251.16526 188.0
[M+Na-2H]- 213.12608 145.1
[M]+ 192.15086 144.8
[M]- 192.15196 144.8
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