CID 160236

1-methoxypyrene

Structural Information

Molecular Formula
C17H12O
SMILES
COC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C17H12O/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3
InChIKey
CPPFVJLHDNOVTN-UHFFFAOYSA-N
Compound name
1-methoxypyrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

355
Patents

232.08882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09610 149.8
[M+Na]+ 255.07804 160.2
[M-H]- 231.08154 155.4
[M+NH4]+ 250.12264 171.5
[M+K]+ 271.05198 155.0
[M+H-H2O]+ 215.08608 142.2
[M+HCOO]- 277.08702 171.1
[M+CH3COO]- 291.10267 163.4
[M+Na-2H]- 253.06349 161.4
[M]+ 232.08827 154.6
[M]- 232.08937 154.6
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