CID 297205

2,5-cyclohexadiene-1-methanol

Structural Information

Molecular Formula
C7H10O
SMILES
C1C=CC(C=C1)CO
InChI
InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h2-5,7-8H,1,6H2
InChIKey
WXDYLOXAVVHBJQ-UHFFFAOYSA-N
Compound name
cyclohexa-2,5-dien-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

110.073166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 120.2
[M+Na]+ 133.06238 127.0
[M-H]- 109.06589 122.4
[M+NH4]+ 128.10699 142.3
[M+K]+ 149.03632 125.6
[M+H-H2O]+ 93.070426 115.4
[M+HCOO]- 155.07137 142.8
[M+CH3COO]- 169.08702 165.0
[M+Na-2H]- 131.04783 128.2
[M]+ 110.07262 117.5
[M]- 110.07371 117.5
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