CID 70020461

4-(2,3-dimethylpentan-2-yl)phenol

Structural Information

Molecular Formula
C13H20O
SMILES
CCC(C)C(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C13H20O/c1-5-10(2)13(3,4)11-6-8-12(14)9-7-11/h6-10,14H,5H2,1-4H3
InChIKey
RLWQHAIXLMFQPL-UHFFFAOYSA-N
Compound name
4-(2,3-dimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.15141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 145.2
[M+Na]+ 215.14063 151.7
[M-H]- 191.14413 147.5
[M+NH4]+ 210.18523 164.6
[M+K]+ 231.11457 149.4
[M+H-H2O]+ 175.14867 140.2
[M+HCOO]- 237.14961 164.7
[M+CH3COO]- 251.16526 185.1
[M+Na-2H]- 213.12608 149.7
[M]+ 192.15086 145.5
[M]- 192.15196 145.5
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

patents stripe