CID 12988583

Pyrrolidine-3,4-diamine trihydrochloride

Structural Information

Molecular Formula
C4H11N3
SMILES
C1C(C(CN1)N)N
InChI
InChI=1S/C4H11N3/c5-3-1-7-2-4(3)6/h3-4,7H,1-2,5-6H2
InChIKey
WCOQAGPRGRKKLM-UHFFFAOYSA-N
Compound name
pyrrolidine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

95
Patents

101.0953 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.102576 119.6
[M+Na]+ 124.084518 125.8
[M-H]- 100.088024 119.5
[M+NH4]+ 119.129123 141.4
[M+K]+ 140.058458 124.0
[M+H-H2O]+ 84.092560 113.6
[M+HCOO]- 146.093501 141.5
[M+CH3COO]- 160.109151 166.6
[M+Na-2H]- 122.069966 123.5
[M]+ 101.09475142 110.9
[M]- 101.09584858 110.9
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