CID 547280

N-[4-(dimethylamino)butyl]-n',n'-dimethylbutane-1,4-diamine

Structural Information

Molecular Formula
C12H29N3
SMILES
CN(C)CCCCNCCCCN(C)C
InChI
InChI=1S/C12H29N3/c1-14(2)11-7-5-9-13-10-6-8-12-15(3)4/h13H,5-12H2,1-4H3
InChIKey
QUMHDXJIDPCZCB-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)butyl]-N',N'-dimethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

304
Patents

215.23615 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.24343 159.0
[M+Na]+ 238.22537 161.4
[M-H]- 214.22887 160.9
[M+NH4]+ 233.26997 178.1
[M+K]+ 254.19931 162.3
[M+H-H2O]+ 198.23341 151.5
[M+HCOO]- 260.23435 184.7
[M+CH3COO]- 274.25000 207.0
[M+Na-2H]- 236.21082 161.8
[M]+ 215.23560 162.6
[M]- 215.23670 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.