CID 67338

N,n,n'-trimethylethylenediamine

Structural Information

Molecular Formula
C5H14N2
SMILES
CNCCN(C)C
InChI
InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3
InChIKey
HVOYZOQVDYHUPF-UHFFFAOYSA-N
Compound name
N,N',N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

13657
Patents

102.1157 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.12298 122.4
[M+Na]+ 125.10492 128.5
[M-H]- 101.10842 124.3
[M+NH4]+ 120.14952 145.8
[M+K]+ 141.07886 129.9
[M+H-H2O]+ 85.112960 117.2
[M+HCOO]- 147.11390 149.0
[M+CH3COO]- 161.12955 177.4
[M+Na-2H]- 123.09037 129.7
[M]+ 102.11515 122.9
[M]- 102.11625 122.9
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