CID 4361367

3-amino-5,6,7,8-tetrahydro-2-naphthol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CCC2=CC(=C(C=C2C1)N)O
InChI
InChI=1S/C10H13NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h5-6,12H,1-4,11H2
InChIKey
PYACPVPEDYPRRB-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,8-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

154
Patents

163.09972 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.8
[M+Na]+ 186.08894 139.8
[M-H]- 162.09244 135.5
[M+NH4]+ 181.13354 153.6
[M+K]+ 202.06288 136.5
[M+H-H2O]+ 146.09698 127.4
[M+HCOO]- 208.09792 153.2
[M+CH3COO]- 222.11357 178.3
[M+Na-2H]- 184.07439 139.3
[M]+ 163.09917 127.6
[M]- 163.10027 127.6
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