CID 6454226

2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)(C1=CCC(=CC1)OC)O
InChI
InChI=1S/C10H16O2/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4,7,11H,5-6H2,1-3H3
InChIKey
XMKIECVHJJJPDQ-UHFFFAOYSA-N
Compound name
2-(4-methoxycyclohexa-1,4-dien-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

168.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 136.6
[M+Na]+ 191.104258 143.6
[M-H]- 167.107764 139.0
[M+NH4]+ 186.148863 156.9
[M+K]+ 207.078198 142.3
[M+H-H2O]+ 151.112300 131.9
[M+HCOO]- 213.113241 156.9
[M+CH3COO]- 227.128891 177.6
[M+Na-2H]- 189.089706 142.9
[M]+ 168.11449142 136.5
[M]- 168.11558858 136.5
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

patents stripe