CID 54002

9-anthrol, 9,10-dihydro-9-(2-amino-1-methylethyl)-10,10-dimethyl-, maleate

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(CN)C1(C2=CC=CC=C2C(C3=CC=CC=C31)(C)C)O
InChI
InChI=1S/C19H23NO/c1-13(12-20)19(21)16-10-6-4-8-14(16)18(2,3)15-9-5-7-11-17(15)19/h4-11,13,21H,12,20H2,1-3H3
InChIKey
CHQXUIARUGGDMS-UHFFFAOYSA-N
Compound name
9-(1-aminopropan-2-yl)-10,10-dimethylanthracen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.4
[M+Na]+ 304.167198 176.7
[M-H]- 280.170704 172.2
[M+NH4]+ 299.211803 189.6
[M+K]+ 320.141138 171.3
[M+H-H2O]+ 264.175240 162.0
[M+HCOO]- 326.176181 185.8
[M+CH3COO]- 340.191831 179.5
[M+Na-2H]- 302.152646 174.2
[M]+ 281.17743142 167.1
[M]- 281.17852858 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.