CID 16929

10-methylbenz[a]anthracene

Structural Information

Molecular Formula
C19H14
SMILES
CC1=CC2=CC3=C(C=CC4=CC=CC=C43)C=C2C=C1
InChI
InChI=1S/C19H14/c1-13-6-7-15-11-16-9-8-14-4-2-3-5-18(14)19(16)12-17(15)10-13/h2-12H,1H3
InChIKey
WUMGYHICFXGLAB-UHFFFAOYSA-N
Compound name
10-methylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

29
Patents

242.10954 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.116816 152.7
[M+Na]+ 265.098758 163.6
[M-H]- 241.102264 159.6
[M+NH4]+ 260.143363 173.5
[M+K]+ 281.072698 156.8
[M+H-H2O]+ 225.106800 144.9
[M+HCOO]- 287.107741 174.5
[M+CH3COO]- 301.123391 166.2
[M+Na-2H]- 263.084206 163.4
[M]+ 242.10899142 154.4
[M]- 242.11008858 154.4
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