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

338
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

literature stripe

Patent stripe

patents stripe