CID 8070

N,n'-dimethylethylenediamine

Structural Information

Molecular Formula
C4H12N2
SMILES
CNCCNC
InChI
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3
InChIKey
KVKFRMCSXWQSNT-UHFFFAOYSA-N
Compound name
N,N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

73
References

39577
Patents

88.10005 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 117.5
[M+Na]+ 111.08927 123.7
[M-H]- 87.092774 118.0
[M+NH4]+ 106.13387 140.7
[M+K]+ 127.06321 124.0
[M+H-H2O]+ 71.097310 112.6
[M+HCOO]- 133.09825 143.9
[M+CH3COO]- 147.11390 170.7
[M+Na-2H]- 109.07472 126.0
[M]+ 88.099501 116.3
[M]- 88.100599 116.3
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