CID 3017969

14302-75-1

Structural Information

Molecular Formula
C5H16N4
SMILES
C(C(CN)(CN)CN)N
InChI
InChI=1S/C5H16N4/c6-1-5(2-7,3-8)4-9/h1-4,6-9H2
InChIKey
VVJIVFKAROPUOS-UHFFFAOYSA-N
Compound name
2,2-bis(aminomethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1430
Patents

132.1375 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.14478 128.2
[M+Na]+ 155.12672 132.9
[M-H]- 131.13022 126.6
[M+NH4]+ 150.17132 147.8
[M+K]+ 171.10066 131.8
[M+H-H2O]+ 115.13476 122.6
[M+HCOO]- 177.13570 152.1
[M+CH3COO]- 191.15135 182.0
[M+Na-2H]- 153.11217 133.0
[M]+ 132.13695 121.2
[M]- 132.13805 121.2
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