CID 50989046

N-methyl-4-(prop-2-yn-1-yloxy)aniline

Structural Information

Molecular Formula
C10H11NO
SMILES
CNC1=CC=C(C=C1)OCC#C
InChI
InChI=1S/C10H11NO/c1-3-8-12-10-6-4-9(11-2)5-7-10/h1,4-7,11H,8H2,2H3
InChIKey
OCDDSDVCUYZTCB-UHFFFAOYSA-N
Compound name
N-methyl-4-prop-2-ynoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.6
[M+Na]+ 184.07328 147.8
[M+NH4]+ 179.11788 140.8
[M+K]+ 200.04722 138.0
[M-H]- 160.07678 130.4
[M+Na-2H]- 182.05873 140.0
[M]+ 161.08351 135.1
[M]- 161.08461 135.1
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.