CID 13257

1-methylphenanthrene

Structural Information

Molecular Formula
C15H12
SMILES
CC1=C2C=CC3=CC=CC=C3C2=CC=C1
InChI
InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3
InChIKey
DOWJXOHBNXRUOD-UHFFFAOYSA-N
Compound name
1-methylphenanthrene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

39
References

828
Patents

192.0939 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10118 138.4
[M+Na]+ 215.08312 149.1
[M-H]- 191.08662 144.6
[M+NH4]+ 210.12772 160.5
[M+K]+ 231.05706 143.9
[M+H-H2O]+ 175.09116 132.0
[M+HCOO]- 237.09210 162.1
[M+CH3COO]- 251.10775 153.0
[M+Na-2H]- 213.06857 149.4
[M]+ 192.09335 140.0
[M]- 192.09445 140.0
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