CID 44702

63766-01-8

Structural Information

Molecular Formula
C11H15NO2
SMILES
CNC1CCCC2=C1C(=C(C=C2)O)O
InChI
InChI=1S/C11H15NO2/c1-12-8-4-2-3-7-5-6-9(13)11(14)10(7)8/h5-6,8,12-14H,2-4H2,1H3
InChIKey
UGARAERZSCYWGH-UHFFFAOYSA-N
Compound name
8-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 140.3
[M+Na]+ 216.099498 147.2
[M-H]- 192.103004 142.2
[M+NH4]+ 211.144103 159.6
[M+K]+ 232.073438 143.8
[M+H-H2O]+ 176.107540 134.9
[M+HCOO]- 238.108481 159.6
[M+CH3COO]- 252.124131 182.9
[M+Na-2H]- 214.084946 146.1
[M]+ 193.10973142 136.5
[M]- 193.11082858 136.5
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.