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

257
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

literature stripe

Patent stripe

patents stripe