CID 211596

23452-53-1

Structural Information

Molecular Formula
C12H15NO2
SMILES
C#CCOCC(CNC1=CC=CC=C1)O
InChI
InChI=1S/C12H15NO2/c1-2-8-15-10-12(14)9-13-11-6-4-3-5-7-11/h1,3-7,12-14H,8-10H2
InChIKey
GMOSHJHOTUTWOV-UHFFFAOYSA-N
Compound name
1-anilino-3-prop-2-ynoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 148.5
[M+Na]+ 228.09950 158.7
[M+NH4]+ 223.14410 152.3
[M+K]+ 244.07344 149.6
[M-H]- 204.10300 142.0
[M+Na-2H]- 226.08495 151.1
[M]+ 205.10973 147.1
[M]- 205.11083 147.1
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.