CID 3016741

4-methoxy-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C10H13NO
SMILES
COC1=CC=CC2=C1CCC2N
InChI
InChI=1S/C10H13NO/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4,9H,5-6,11H2,1H3
InChIKey
JMXMRMSUOHVHOF-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

78
Patents

163.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.1
[M+Na]+ 186.088938 141.5
[M-H]- 162.092444 137.5
[M+NH4]+ 181.133543 156.6
[M+K]+ 202.062878 138.9
[M+H-H2O]+ 146.096980 127.9
[M+HCOO]- 208.097921 157.2
[M+CH3COO]- 222.113571 180.5
[M+Na-2H]- 184.074386 138.6
[M]+ 163.09917142 132.0
[M]- 163.10026858 132.0
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