CID 10313091

1,3-propanediamine, 2-(aminomethyl)-

Structural Information

Molecular Formula
C4H13N3
SMILES
C(C(CN)CN)N
InChI
InChI=1S/C4H13N3/c5-1-4(2-6)3-7/h4H,1-3,5-7H2
InChIKey
XXZJETFEIRYFCD-UHFFFAOYSA-N
Compound name
2-(aminomethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

103.11095 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.11823 122.4
[M+Na]+ 126.10017 127.7
[M-H]- 102.10367 121.3
[M+NH4]+ 121.14477 143.7
[M+K]+ 142.07411 127.2
[M+H-H2O]+ 86.108210 117.0
[M+HCOO]- 148.10915 146.9
[M+CH3COO]- 162.12480 174.7
[M+Na-2H]- 124.08562 126.5
[M]+ 103.11040 116.7
[M]- 103.11150 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.