CID 5494443

4-hydroxy-n-propargyl-1(r)-aminoindan

Structural Information

Molecular Formula
C12H13NO
SMILES
C=CC=N[C@@H]1CCC2=C1C=CC=C2O
InChI
InChI=1S/C12H13NO/c1-2-8-13-11-7-6-10-9(11)4-3-5-12(10)14/h2-5,8,11,14H,1,6-7H2/t11-/m1/s1
InChIKey
OFWOPQIDDNCCLL-LLVKDONJSA-N
Compound name
(1R)-1-(prop-2-enylideneamino)-2,3-dihydro-1H-inden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 139.9
[M+Na]+ 210.08894 148.0
[M-H]- 186.09244 144.5
[M+NH4]+ 205.13354 162.5
[M+K]+ 226.06288 144.1
[M+H-H2O]+ 170.09698 134.3
[M+HCOO]- 232.09792 164.3
[M+CH3COO]- 246.11357 184.8
[M+Na-2H]- 208.07439 145.3
[M]+ 187.09917 138.9
[M]- 187.10027 138.9
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

No patent data available for this compound.