CID 81519

10-methylanthracene-9-carbaldehyde

Structural Information

Molecular Formula
C16H12O
SMILES
CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C=O
InChI
InChI=1S/C16H12O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-10H,1H3
InChIKey
KVWSVUPNZVIFBN-UHFFFAOYSA-N
Compound name
10-methylanthracene-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

220.08882 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.096096 145.6
[M+Na]+ 243.078038 156.9
[M-H]- 219.081544 152.0
[M+NH4]+ 238.122643 166.7
[M+K]+ 259.051978 151.6
[M+H-H2O]+ 203.086080 138.9
[M+HCOO]- 265.087021 169.3
[M+CH3COO]- 279.102671 160.0
[M+Na-2H]- 241.063486 155.3
[M]+ 220.08827142 148.7
[M]- 220.08936858 148.7
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