CID 17026

12-methylbenz(a)anthracene

Structural Information

Molecular Formula
C19H14
SMILES
CC1=C2C(=CC3=CC=CC=C13)C=CC4=CC=CC=C42
InChI
InChI=1S/C19H14/c1-13-17-8-4-3-7-15(17)12-16-11-10-14-6-2-5-9-18(14)19(13)16/h2-12H,1H3
InChIKey
ACYOLKMEHHTLAB-UHFFFAOYSA-N
Compound name
12-methylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

10
Patents

242.10954 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11682 152.7
[M+Na]+ 265.09876 163.6
[M-H]- 241.10226 159.6
[M+NH4]+ 260.14336 173.5
[M+K]+ 281.07270 156.8
[M+H-H2O]+ 225.10680 144.9
[M+HCOO]- 287.10774 174.5
[M+CH3COO]- 301.12339 166.2
[M+Na-2H]- 263.08421 163.4
[M]+ 242.10899 154.4
[M]- 242.11009 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