CID 292506

1,7-di-(sec.-butyl)-diethylenetriamine

Structural Information

Molecular Formula
C12H29N3
SMILES
CCC(C)NCCNCCNC(C)CC
InChI
InChI=1S/C12H29N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h11-15H,5-10H2,1-4H3
InChIKey
GSCPTGNMEGRVNR-UHFFFAOYSA-N
Compound name
N'-butan-2-yl-N-[2-(butan-2-ylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

215.23615 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.24343 159.2
[M+Na]+ 238.22537 160.8
[M-H]- 214.22887 158.3
[M+NH4]+ 233.26997 176.9
[M+K]+ 254.19931 159.9
[M+H-H2O]+ 198.23341 152.2
[M+HCOO]- 260.23435 182.0
[M+CH3COO]- 274.25000 201.8
[M+Na-2H]- 236.21082 161.0
[M]+ 215.23560 158.9
[M]- 215.23670 158.9
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

patents stripe