CID 6420130

Trans-(1s,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-UWVGGRQHSA-N
Compound name
(1S,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

25
Patents

163.09972 Da
Monoisotopic Mass

0.8
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