CID 66071

N-ethylethylenediamine

Structural Information

Molecular Formula
C4H12N2
SMILES
CCNCCN
InChI
InChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3
InChIKey
SCZVXVGZMZRGRU-UHFFFAOYSA-N
Compound name
N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

12351
Patents

88.10005 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 117.8
[M+Na]+ 111.08927 124.0
[M-H]- 87.092774 117.7
[M+NH4]+ 106.13387 140.7
[M+K]+ 127.06321 123.9
[M+H-H2O]+ 71.097310 112.9
[M+HCOO]- 133.09825 143.5
[M+CH3COO]- 147.11390 170.0
[M+Na-2H]- 109.07472 125.2
[M]+ 88.099501 115.6
[M]- 88.100599 115.6
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