CID 8084

110-95-2

Structural Information

Molecular Formula
C7H18N2
SMILES
CN(C)CCCN(C)C
InChI
InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3
InChIKey
DMQSHEKGGUOYJS-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

9957
Patents

130.147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.154276 131.8
[M+Na]+ 153.136218 137.2
[M-H]- 129.139724 134.9
[M+NH4]+ 148.180823 154.8
[M+K]+ 169.110158 139.6
[M+H-H2O]+ 113.144260 126.1
[M+HCOO]- 175.145201 158.3
[M+CH3COO]- 189.160851 187.1
[M+Na-2H]- 151.121666 137.2
[M]+ 130.14645142 134.4
[M]- 130.14754858 134.4
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