CID 21998

Acridinium, 9-amino-10-methyl-, bromide

Structural Information

Molecular Formula
C14H13N2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)N
InChI
InChI=1S/C14H12N2/c1-16-12-8-4-2-6-10(12)14(15)11-7-3-5-9-13(11)16/h2-9,15H,1H3/p+1
InChIKey
SQFZLHHJWJODCA-UHFFFAOYSA-O
Compound name
10-methylacridin-10-ium-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

209.10788 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11516 145.2
[M+Na]+ 232.09710 156.1
[M-H]- 208.10060 150.1
[M+NH4]+ 227.14170 164.6
[M+K]+ 248.07104 145.2
[M+H-H2O]+ 192.10514 140.6
[M+HCOO]- 254.10608 168.0
[M+CH3COO]- 268.12173 184.9
[M+Na-2H]- 230.08255 157.6
[M]+ 209.10733 144.8
[M]- 209.10843 144.8
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