CID 8111

Diethylenetriamine

Structural Information

Molecular Formula
C4H13N3
SMILES
C(CNCCN)N
InChI
InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
InChIKey
RPNUMPOLZDHAAY-UHFFFAOYSA-N
Compound name
N'-(2-aminoethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

873
References

48662
Patents

103.11095 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.11823 120.8
[M+Na]+ 126.10017 126.2
[M-H]- 102.10367 120.1
[M+NH4]+ 121.14477 142.5
[M+K]+ 142.07411 125.7
[M+H-H2O]+ 86.108210 115.3
[M+HCOO]- 148.10915 146.9
[M+CH3COO]- 162.12480 174.5
[M+Na-2H]- 124.08562 127.4
[M]+ 103.11040 116.8
[M]- 103.11150 116.8
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.