CID 171039390

1-methoxycycloocta-1,3,5,7-tetraene

Structural Information

Molecular Formula
C9H10O
SMILES
CO/C/1=C/C=C\C=C/C=C1
InChI
InChI=1S/C9H10O/c1-10-9-7-5-3-2-4-6-8-9/h2-8H,1H3/b3-2-,4-2?,5-3?,6-4-,7-5?,8-6?,9-7?,9-8+
InChIKey
YFWWZNBRXHMZOC-MVNLMLFXSA-N
Compound name
methoxycyclooctatetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.07317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 136.4
[M+Na]+ 157.062388 142.0
[M-H]- 133.065894 138.6
[M+NH4]+ 152.106993 146.4
[M+K]+ 173.036328 142.5
[M+H-H2O]+ 117.070430 133.2
[M+HCOO]- 179.071371 148.1
[M+CH3COO]- 193.087021 217.8
[M+Na-2H]- 155.047836 139.2
[M]+ 134.07262142 137.2
[M]- 134.07371858 137.2
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

No patent data available for this compound.