CID 470079

N,n'-bis[1-(methoxymethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CCC(COC)NCCNC(CC)COC
InChI
InChI=1S/C12H28N2O2/c1-5-11(9-15-3)13-7-8-14-12(6-2)10-16-4/h11-14H,5-10H2,1-4H3
InChIKey
PDLHNTPCYBTXIY-UHFFFAOYSA-N
Compound name
N,N'-bis(1-methoxybutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.21507 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 161.4
[M+Na]+ 255.20429 163.8
[M-H]- 231.20779 160.5
[M+NH4]+ 250.24889 178.7
[M+K]+ 271.17823 163.8
[M+H-H2O]+ 215.21233 154.5
[M+HCOO]- 277.21327 183.7
[M+CH3COO]- 291.22892 200.7
[M+Na-2H]- 253.18974 163.0
[M]+ 232.21452 164.8
[M]- 232.21562 164.8
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

No patent data available for this compound.