CID 76156

1-methoxycyclohexa-1,4-diene

Structural Information

Molecular Formula
C7H10O
SMILES
COC1=CCC=CC1
InChI
InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChIKey
RGXIXVNKYUAKHS-UHFFFAOYSA-N
Compound name
1-methoxycyclohexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

230
Patents

110.073166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.0
[M+Na]+ 133.06238 133.2
[M+NH4]+ 128.10699 130.1
[M+K]+ 149.03632 126.2
[M-H]- 109.06589 123.0
[M+Na-2H]- 131.04783 128.2
[M]+ 110.07262 122.8
[M]- 110.07371 122.8
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