CID 428

1,3-diaminopropane

Structural Information

Molecular Formula
C3H10N2
SMILES
C(CN)CN
InChI
InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N
Compound name
propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

590
References

155951
Patents

74.0844 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.091676 113.5
[M+Na]+ 97.073618 120.2
[M-H]- 73.077124 113.1
[M+NH4]+ 92.118223 136.7
[M+K]+ 113.04756 120.0
[M+H-H2O]+ 57.081660 108.8
[M+HCOO]- 119.08260 138.9
[M+CH3COO]- 133.09825 166.3
[M+Na-2H]- 95.059066 120.4
[M]+ 74.083851 109.9
[M]- 74.084949 109.9
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