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 148.4
[M+Na]+ 228.09950 155.8
[M-H]- 204.10300 148.7
[M+NH4]+ 223.14410 164.1
[M+K]+ 244.07344 151.8
[M+H-H2O]+ 188.10754 136.1
[M+HCOO]- 250.10848 165.3
[M+CH3COO]- 264.12413 193.5
[M+Na-2H]- 226.08495 152.4
[M]+ 205.10973 142.9
[M]- 205.11083 142.9
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.