CID 149704

Dibenzo(def,mno)chrysene-6-methanol

Structural Information

Molecular Formula
C23H14O
SMILES
C1=CC2=C3C(=C1)C=C4C=CC5=C6C4=C3C(=C(C6=CC=C5)CO)C=C2
InChI
InChI=1S/C23H14O/c24-12-19-17-6-2-4-14-7-8-16-11-15-5-1-3-13-9-10-18(19)23(20(13)15)22(16)21(14)17/h1-11,24H,12H2
InChIKey
YWJXFEXZVZQIRV-UHFFFAOYSA-N
Compound name
12-hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaenylmethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

306.10446 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.111736 170.5
[M+Na]+ 329.093678 180.7
[M-H]- 305.097184 175.2
[M+NH4]+ 324.138283 190.1
[M+K]+ 345.067618 172.9
[M+H-H2O]+ 289.101720 160.4
[M+HCOO]- 351.102661 186.6
[M+CH3COO]- 365.118311 181.6
[M+Na-2H]- 327.079126 182.6
[M]+ 306.10391142 176.3
[M]- 306.10500858 176.3
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