CID 66053

N,n-dimethylethylenediamine

Structural Information

Molecular Formula
C4H12N2
SMILES
CN(C)CCN
InChI
InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3
InChIKey
DILRJUIACXKSQE-UHFFFAOYSA-N
Compound name
N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

65
References

57818
Patents

88.10005 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 118.2
[M+Na]+ 111.089268 124.6
[M-H]- 87.092774 119.7
[M+NH4]+ 106.133873 141.8
[M+K]+ 127.063208 125.9
[M+H-H2O]+ 71.097310 113.1
[M+HCOO]- 133.098251 144.4
[M+CH3COO]- 147.113901 173.6
[M+Na-2H]- 109.074716 124.8
[M]+ 88.09950142 117.2
[M]- 88.10059858 117.2
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