CID 589038

N-methyl-n-(prop-2-yn-1-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

145.08914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 132.7
[M+Na]+ 168.07836 141.8
[M-H]- 144.08186 135.9
[M+NH4]+ 163.12296 152.0
[M+K]+ 184.05230 138.7
[M+H-H2O]+ 128.08640 120.7
[M+HCOO]- 190.08734 152.5
[M+CH3COO]- 204.10299 189.3
[M+Na-2H]- 166.06381 138.8
[M]+ 145.08859 127.4
[M]- 145.08969 127.4
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