CID 44717

63766-11-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC=CC2=C1CCCC2C(N)O
InChI
InChI=1S/C12H17NO2/c1-15-11-7-3-4-8-9(11)5-2-6-10(8)12(13)14/h3-4,7,10,12,14H,2,5-6,13H2,1H3
InChIKey
MHRJUSRTGFAVJD-UHFFFAOYSA-N
Compound name
amino-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.6
[M+Na]+ 230.11515 151.3
[M-H]- 206.11865 147.9
[M+NH4]+ 225.15975 164.5
[M+K]+ 246.08909 148.6
[M+H-H2O]+ 190.12319 139.7
[M+HCOO]- 252.12413 164.5
[M+CH3COO]- 266.13978 187.5
[M+Na-2H]- 228.10060 149.7
[M]+ 207.12538 141.9
[M]- 207.12648 141.9
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.