CID 6420129

Cis-(1r,2s)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC2=CC=CC=C2[C@H]([C@H]1N)O
InChI
InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1
InChIKey
IIMSEFZOOYSTDO-VHSXEESVSA-N
Compound name
(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

29
Patents

163.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 132.8
[M+Na]+ 186.088938 139.8
[M-H]- 162.092444 135.5
[M+NH4]+ 181.133543 153.6
[M+K]+ 202.062878 136.5
[M+H-H2O]+ 146.096980 127.4
[M+HCOO]- 208.097921 153.2
[M+CH3COO]- 222.113571 178.3
[M+Na-2H]- 184.074386 139.3
[M]+ 163.09917142 127.6
[M]- 163.10026858 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