CID 28422082

N-ethyl-3-ethynylaniline

Structural Information

Molecular Formula
C10H11N
SMILES
CCNC1=CC=CC(=C1)C#C
InChI
InChI=1S/C10H11N/c1-3-9-6-5-7-10(8-9)11-4-2/h1,5-8,11H,4H2,2H3
InChIKey
IMXBXBZQXNYPIX-UHFFFAOYSA-N
Compound name
N-ethyl-3-ethynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

145.08914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 132.4
[M+Na]+ 168.07836 142.2
[M-H]- 144.08186 134.6
[M+NH4]+ 163.12296 151.4
[M+K]+ 184.05230 138.1
[M+H-H2O]+ 128.08640 120.9
[M+HCOO]- 190.08734 151.7
[M+CH3COO]- 204.10299 187.1
[M+Na-2H]- 166.06381 138.5
[M]+ 145.08859 126.3
[M]- 145.08969 126.3
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

patents stripe