CID 83667

2,5-dihydro-3-methylanisole

Structural Information

Molecular Formula
C8H12O
SMILES
CC1=CCC=C(C1)OC
InChI
InChI=1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h4-5H,3,6H2,1-2H3
InChIKey
JHXCCDQIOYRZIM-UHFFFAOYSA-N
Compound name
1-methoxy-5-methylcyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

124.08881 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 123.4
[M+Na]+ 147.078028 131.1
[M-H]- 123.081534 127.2
[M+NH4]+ 142.122633 146.0
[M+K]+ 163.051968 130.4
[M+H-H2O]+ 107.086070 118.4
[M+HCOO]- 169.087011 147.1
[M+CH3COO]- 183.102661 171.9
[M+Na-2H]- 145.063476 130.6
[M]+ 124.08826142 123.4
[M]- 124.08935858 123.4
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