CID 23351

Tripropargylamine

Structural Information

Molecular Formula
C9H9N
SMILES
C#CCN(CC#C)CC#C
InChI
InChI=1S/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2
InChIKey
ZHOBJWVNWMQMLF-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-ynyl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

572
Patents

131.0735 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.080776 155.3
[M+Na]+ 154.062718 163.1
[M-H]- 130.066224 158.5
[M+NH4]+ 149.107323 164.2
[M+K]+ 170.036658 160.5
[M+H-H2O]+ 114.070760 143.7
[M+HCOO]- 176.071701 159.5
[M+CH3COO]- 190.087351 227.7
[M+Na-2H]- 152.048166 154.6
[M]+ 131.07295142 147.9
[M]- 131.07404858 147.9
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