CID 58649

101651-80-3

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC(CC1(C2=CC=CC=C2NC1=O)O)N
InChI
InChI=1S/C11H14N2O2/c1-7(12)6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,7,15H,6,12H2,1H3,(H,13,14)
InChIKey
PTLNOCZKIVWOBW-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 145.3
[M+Na]+ 229.09475 153.3
[M-H]- 205.09825 145.8
[M+NH4]+ 224.13935 166.1
[M+K]+ 245.06869 149.3
[M+H-H2O]+ 189.10279 140.2
[M+HCOO]- 251.10373 164.1
[M+CH3COO]- 265.11938 182.9
[M+Na-2H]- 227.08020 149.3
[M]+ 206.10498 141.8
[M]- 206.10608 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.