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

1
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

patents stripe