CID 66337

P-butoxytoluene

Structural Information

Molecular Formula
C11H16O
SMILES
CCCCOC1=CC=C(C=C1)C
InChI
InChI=1S/C11H16O/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
AGARRLZBNOJWLG-UHFFFAOYSA-N
Compound name
1-butoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3475
Patents

164.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.6
[M+Na]+ 187.10934 143.2
[M-H]- 163.11284 139.3
[M+NH4]+ 182.15394 156.7
[M+K]+ 203.08328 141.4
[M+H-H2O]+ 147.11738 130.0
[M+HCOO]- 209.11832 159.8
[M+CH3COO]- 223.13397 180.6
[M+Na-2H]- 185.09479 142.2
[M]+ 164.11957 138.1
[M]- 164.12067 138.1
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