CID 235817

7-methoxynaphthalen-1-amine

Structural Information

Molecular Formula
C11H11NO
SMILES
COC1=CC2=C(C=CC=C2N)C=C1
InChI
InChI=1S/C11H11NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h2-7H,12H2,1H3
InChIKey
PYPBAWHTDYSLKJ-UHFFFAOYSA-N
Compound name
7-methoxynaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

173.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 134.1
[M+Na]+ 196.07328 143.2
[M-H]- 172.07678 138.8
[M+NH4]+ 191.11788 155.4
[M+K]+ 212.04722 140.1
[M+H-H2O]+ 156.08132 128.2
[M+HCOO]- 218.08226 158.6
[M+CH3COO]- 232.09791 183.2
[M+Na-2H]- 194.05873 142.5
[M]+ 173.08351 134.1
[M]- 173.08461 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