CID 524841

2-butyl-1,3-dimethoxy-5-methylbenzene

Structural Information

Molecular Formula
C13H20O2
SMILES
CCCCC1=C(C=C(C=C1OC)C)OC
InChI
InChI=1S/C13H20O2/c1-5-6-7-11-12(14-3)8-10(2)9-13(11)15-4/h8-9H,5-7H2,1-4H3
InChIKey
SRSJHOHVTWICQC-UHFFFAOYSA-N
Compound name
2-butyl-1,3-dimethoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

208.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 146.8
[M+Na]+ 231.135548 155.4
[M-H]- 207.139054 150.9
[M+NH4]+ 226.180153 166.8
[M+K]+ 247.109488 153.7
[M+H-H2O]+ 191.143590 141.0
[M+HCOO]- 253.144531 170.6
[M+CH3COO]- 267.160181 190.9
[M+Na-2H]- 229.120996 150.9
[M]+ 208.14578142 152.3
[M]- 208.14687858 152.3
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