CID 3058154

2-isopropyl-6-propylphenol

Structural Information

Molecular Formula
C12H18O
SMILES
CCCC1=C(C(=CC=C1)C(C)C)O
InChI
InChI=1S/C12H18O/c1-4-6-10-7-5-8-11(9(2)3)12(10)13/h5,7-9,13H,4,6H2,1-3H3
InChIKey
JNTNBZKUWHRIGW-UHFFFAOYSA-N
Compound name
2-propan-2-yl-6-propylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

29
Patents

178.13577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 140.5
[M+Na]+ 201.124988 147.9
[M-H]- 177.128494 143.0
[M+NH4]+ 196.169593 160.6
[M+K]+ 217.098928 145.4
[M+H-H2O]+ 161.133030 135.3
[M+HCOO]- 223.133971 161.8
[M+CH3COO]- 237.149621 182.9
[M+Na-2H]- 199.110436 144.1
[M]+ 178.13522142 141.2
[M]- 178.13631858 141.2
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