CID 81107

2,6-dipropylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1517
Patents

178.13577 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 140.3
[M+Na]+ 201.12499 148.0
[M-H]- 177.12849 142.8
[M+NH4]+ 196.16959 160.5
[M+K]+ 217.09893 145.0
[M+H-H2O]+ 161.13303 135.0
[M+HCOO]- 223.13397 162.7
[M+CH3COO]- 237.14962 182.1
[M+Na-2H]- 199.11044 145.2
[M]+ 178.13522 141.7
[M]- 178.13632 141.7
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