CID 469938

24426-12-8

Structural Information

Molecular Formula
C12H30N4
SMILES
CC(C)NCCNCCNCCNC(C)C
InChI
InChI=1S/C12H30N4/c1-11(2)15-9-7-13-5-6-14-8-10-16-12(3)4/h11-16H,5-10H2,1-4H3
InChIKey
XEJHFUWIGVKNNO-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

230.24704 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.25432 161.7
[M+Na]+ 253.23626 162.4
[M-H]- 229.23976 160.7
[M+NH4]+ 248.28086 178.3
[M+K]+ 269.21020 161.7
[M+H-H2O]+ 213.24430 154.1
[M+HCOO]- 275.24524 185.4
[M+CH3COO]- 289.26089 207.0
[M+Na-2H]- 251.22171 163.8
[M]+ 230.24649 160.6
[M]- 230.24759 160.6
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