CID 23350

Dipropargylamine

Structural Information

Molecular Formula
C6H7N
SMILES
C#CCNCC#C
InChI
InChI=1S/C6H7N/c1-3-5-7-6-4-2/h1-2,7H,5-6H2
InChIKey
RGSODMOUXWISAG-UHFFFAOYSA-N
Compound name
N-prop-2-ynylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1225
Patents

93.057846 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 132.9
[M+Na]+ 116.047064 142.4
[M-H]- 92.050570 133.9
[M+NH4]+ 111.091669 148.1
[M+K]+ 132.021004 140.1
[M+H-H2O]+ 76.055106 120.0
[M+HCOO]- 138.056047 143.8
[M+CH3COO]- 152.071697 200.3
[M+Na-2H]- 114.032512 136.6
[M]+ 93.05729742 124.2
[M]- 93.05839458 124.2
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