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

210
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 146.7
[M+Na]+ 244.10967 156.1
[M-H]- 220.11317 152.6
[M+NH4]+ 239.15427 167.3
[M+K]+ 260.08361 150.6
[M+H-H2O]+ 204.11771 139.7
[M+HCOO]- 266.11865 171.1
[M+CH3COO]- 280.13430 160.2
[M+Na-2H]- 242.09512 157.6
[M]+ 221.11990 148.1
[M]- 221.12100 148.1
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.