CID 13297009

1-methoxy-3-(3-methylbut-2-en-1-yl)benzene

Structural Information

Molecular Formula
C12H16O
SMILES
CC(=CCC1=CC(=CC=C1)OC)C
InChI
InChI=1S/C12H16O/c1-10(2)7-8-11-5-4-6-12(9-11)13-3/h4-7,9H,8H2,1-3H3
InChIKey
YYOGXZOAGZPGDB-UHFFFAOYSA-N
Compound name
1-methoxy-3-(3-methylbut-2-enyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

176.12012 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 139.3
[M+Na]+ 199.10934 146.5
[M-H]- 175.11284 142.9
[M+NH4]+ 194.15394 159.9
[M+K]+ 215.08328 144.4
[M+H-H2O]+ 159.11738 133.6
[M+HCOO]- 221.11832 162.4
[M+CH3COO]- 235.13397 182.9
[M+Na-2H]- 197.09479 144.1
[M]+ 176.11957 140.8
[M]- 176.12067 140.8
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