CID 14954072

1,1-propanediamine

Structural Information

Molecular Formula
C3H10N2
SMILES
CCC(N)N
InChI
InChI=1S/C3H10N2/c1-2-3(4)5/h3H,2,4-5H2,1H3
InChIKey
GGHDAUPFEBTORZ-UHFFFAOYSA-N
Compound name
propane-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

26960
Patents

74.0844 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.091676 114.6
[M+Na]+ 97.073618 121.1
[M-H]- 73.077124 114.3
[M+NH4]+ 92.118223 137.8
[M+K]+ 113.04756 121.3
[M+H-H2O]+ 57.081660 110.0
[M+HCOO]- 119.08260 139.0
[M+CH3COO]- 133.09825 167.2
[M+Na-2H]- 95.059066 120.1
[M]+ 74.083851 110.3
[M]- 74.084949 110.3
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