CID 541935

Methyl[(naphthalen-2-yl)methyl]amine

Structural Information

Molecular Formula
C12H13N
SMILES
CNCC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C12H13N/c1-13-9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8,13H,9H2,1H3
InChIKey
SSNISTUBYRMYDY-UHFFFAOYSA-N
Compound name
N-methyl-1-naphthalen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

184
Patents

171.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11208 134.7
[M+Na]+ 194.09402 142.4
[M-H]- 170.09752 139.3
[M+NH4]+ 189.13862 156.1
[M+K]+ 210.06796 138.9
[M+H-H2O]+ 154.10206 128.6
[M+HCOO]- 216.10300 159.3
[M+CH3COO]- 230.11865 183.8
[M+Na-2H]- 192.07947 144.4
[M]+ 171.10425 134.1
[M]- 171.10535 134.1
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