CID 113565

100231-77-4

Structural Information

Molecular Formula
C4H14N4
SMILES
C(CNCC(N)N)N
InChI
InChI=1S/C4H14N4/c5-1-2-8-3-4(6)7/h4,8H,1-3,5-7H2
InChIKey
CFAZGYXPBDCSPT-UHFFFAOYSA-N
Compound name
2-N-(2-aminoethyl)ethane-1,1,2-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

118.12185 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.129126 124.7
[M+Na]+ 141.111068 129.1
[M-H]- 117.114574 123.6
[M+NH4]+ 136.155673 144.9
[M+K]+ 157.085008 128.7
[M+H-H2O]+ 101.119110 118.6
[M+HCOO]- 163.120051 150.1
[M+CH3COO]- 177.135701 180.1
[M+Na-2H]- 139.096516 129.1
[M]+ 118.12130142 118.2
[M]- 118.12239858 118.2
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

patents stripe