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

41
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.