CID 13069

9-aminoanthracene

Structural Information

Molecular Formula
C14H11N
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2N
InChI
InChI=1S/C14H11N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,15H2
InChIKey
LHNICELDCMPPDE-UHFFFAOYSA-N
Compound name
anthracen-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1076
Patents

193.08914 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09642 137.9
[M+Na]+ 216.07836 148.3
[M-H]- 192.08186 143.7
[M+NH4]+ 211.12296 159.4
[M+K]+ 232.05230 142.9
[M+H-H2O]+ 176.08640 131.5
[M+HCOO]- 238.08734 162.4
[M+CH3COO]- 252.10299 152.1
[M+Na-2H]- 214.06381 149.0
[M]+ 193.08859 137.7
[M]- 193.08969 137.7
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