CID 12969386

Anthracene-1,8-diyldimethanamine

Structural Information

Molecular Formula
C16H16N2
SMILES
C1=CC2=CC3=C(C=C2C(=C1)CN)C(=CC=C3)CN
InChI
InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2
InChIKey
NTFMELQYTBAEQP-UHFFFAOYSA-N
Compound name
[8-(aminomethyl)anthracen-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

236.13135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.138626 151.5
[M+Na]+ 259.120568 161.0
[M-H]- 235.124074 156.6
[M+NH4]+ 254.165173 170.9
[M+K]+ 275.094508 154.9
[M+H-H2O]+ 219.128610 144.5
[M+HCOO]- 281.129551 175.6
[M+CH3COO]- 295.145201 164.3
[M+Na-2H]- 257.106016 160.1
[M]+ 236.13080142 150.7
[M]- 236.13189858 150.7
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