CID 432418

Propane-1,2,3-triamine

Structural Information

Molecular Formula
C3H11N3
SMILES
C(C(CN)N)N
InChI
InChI=1S/C3H11N3/c4-1-3(6)2-5/h3H,1-2,4-6H2
InChIKey
PZZICILSCNDOKK-UHFFFAOYSA-N
Compound name
propane-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3817
Patents

89.0953 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.102576 118.0
[M+Na]+ 112.08452 123.6
[M-H]- 88.088024 117.0
[M+NH4]+ 107.12912 139.8
[M+K]+ 128.05846 123.4
[M+H-H2O]+ 72.092560 112.7
[M+HCOO]- 134.09350 142.7
[M+CH3COO]- 148.10915 171.7
[M+Na-2H]- 110.06997 122.6
[M]+ 89.094751 111.8
[M]- 89.095849 111.8
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