CID 188128

9-(methylaminomethyl)anthracene

Structural Information

Molecular Formula
C16H15N
SMILES
CNCC1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C16H15N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10,17H,11H2,1H3
InChIKey
WRVHTDZJMNUGQN-UHFFFAOYSA-N
Compound name
1-anthracen-9-yl-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

211
Patents

221.12045 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 148.2
[M+Na]+ 244.10967 165.3
[M+NH4]+ 239.15427 159.6
[M+K]+ 260.08361 154.9
[M-H]- 220.11317 154.5
[M+Na-2H]- 242.09512 158.4
[M]+ 221.11990 152.8
[M]- 221.12100 152.8
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