CID 46873831

A menaquinol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC1=C(C2=CC=CC=C2C(=C1CC=C(C)C)O)O
InChI
InChI=1S/C16H18O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8,17-18H,9H2,1-3H3
InChIKey
NDCOZNXXVWWVAO-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

242.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 155.5
[M+Na]+ 265.11990 164.2
[M-H]- 241.12340 157.9
[M+NH4]+ 260.16450 173.6
[M+K]+ 281.09384 159.2
[M+H-H2O]+ 225.12794 150.0
[M+HCOO]- 287.12888 174.2
[M+CH3COO]- 301.14453 192.9
[M+Na-2H]- 263.10535 158.3
[M]+ 242.13013 156.0
[M]- 242.13123 156.0
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.