CID 77191987

1504693-51-9

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1CCC2=C(C1N)C=C(C=C2)OC
InChI
InChI=1S/C12H17NO2/c1-14-9-5-3-8-4-6-11(15-2)12(13)10(8)7-9/h3,5,7,11-12H,4,6,13H2,1-2H3
InChIKey
GLKZLMXELQFUOC-UHFFFAOYSA-N
Compound name
2,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 144.8
[M+Na]+ 230.11515 152.2
[M-H]- 206.11865 148.9
[M+NH4]+ 225.15975 164.8
[M+K]+ 246.08909 149.9
[M+H-H2O]+ 190.12319 138.7
[M+HCOO]- 252.12413 166.2
[M+CH3COO]- 266.13978 190.2
[M+Na-2H]- 228.10060 150.0
[M]+ 207.12538 144.1
[M]- 207.12648 144.1
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.