CID 17321

2-methylphenanthrene

Structural Information

Molecular Formula
C15H12
SMILES
CC1=CC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3
InChIKey
KANLOADZXMMCQA-UHFFFAOYSA-N
Compound name
2-methylphenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1031
Patents

192.0939 Da
Monoisotopic Mass

5.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.