CID 470077

1-pentanol, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CCCC(CO)NCCNC(CCC)CO
InChI
InChI=1S/C12H28N2O2/c1-3-5-11(9-15)13-7-8-14-12(10-16)6-4-2/h11-16H,3-10H2,1-2H3
InChIKey
ZYUXQTUMNDJKPP-UHFFFAOYSA-N
Compound name
2-[2-(1-hydroxypentan-2-ylamino)ethylamino]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.21507 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 161.7
[M+Na]+ 255.20429 163.2
[M-H]- 231.20779 157.9
[M+NH4]+ 250.24889 177.4
[M+K]+ 271.17823 161.5
[M+H-H2O]+ 215.21233 155.2
[M+HCOO]- 277.21327 180.9
[M+CH3COO]- 291.22892 195.7
[M+Na-2H]- 253.18974 162.3
[M]+ 232.21452 161.2
[M]- 232.21562 161.2
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

No patent data available for this compound.