CID 62492616

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

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=C(C=CC(=C1)OCC#C)N
InChI
InChI=1S/C10H11NO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h1,4-5,7H,6,11H2,2H3
InChIKey
KUGWSNKIYNLNHJ-UHFFFAOYSA-N
Compound name
2-methyl-4-prop-2-ynoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 134.6
[M+Na]+ 184.07328 146.9
[M+NH4]+ 179.11788 139.6
[M+K]+ 200.04722 137.4
[M-H]- 160.07678 129.3
[M+Na-2H]- 182.05873 138.4
[M]+ 161.08351 134.0
[M]- 161.08461 134.0
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.