CID 28926

N,n-dipropargylaniline

Structural Information

Molecular Formula
C12H11N
SMILES
C#CCN(CC#C)C1=CC=CC=C1
InChI
InChI=1S/C12H11N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h1-2,5-9H,10-11H2
InChIKey
ONOQPVMGQVXXQD-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-ynyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09642 152.0
[M+Na]+ 192.07836 161.5
[M-H]- 168.08186 154.5
[M+NH4]+ 187.12296 165.2
[M+K]+ 208.05230 156.4
[M+H-H2O]+ 152.08640 137.4
[M+HCOO]- 214.08734 162.7
[M+CH3COO]- 228.10299 211.0
[M+Na-2H]- 190.06381 153.9
[M]+ 169.08859 143.5
[M]- 169.08969 143.5
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