CID 5191884

4-ethynyl-n,n-dimethylaniline

Structural Information

Molecular Formula
C10H11N
SMILES
CN(C)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
InChIKey
ZWMAYLMVFSCMMS-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

954
Patents

145.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 132.0
[M+Na]+ 168.07836 141.9
[M-H]- 144.08186 135.5
[M+NH4]+ 163.12296 151.6
[M+K]+ 184.05230 139.0
[M+H-H2O]+ 128.08640 120.2
[M+HCOO]- 190.08734 151.8
[M+CH3COO]- 204.10299 190.3
[M+Na-2H]- 166.06381 137.5
[M]+ 145.08859 127.0
[M]- 145.08969 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe