CID 547280

17232-87-0

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

255
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 157.0
[M+Na]+ 238.22537 163.9
[M+NH4]+ 233.26997 164.3
[M+K]+ 254.19931 157.7
[M-H]- 214.22887 158.8
[M+Na-2H]- 236.21082 160.1
[M]+ 215.23560 158.1
[M]- 215.23670 158.1
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