CID 469989

2-pentanol, 3,3'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CCC(C(C)O)NCCNC(CC)C(C)O
InChI
InChI=1S/C12H28N2O2/c1-5-11(9(3)15)13-7-8-14-12(6-2)10(4)16/h9-16H,5-8H2,1-4H3
InChIKey
XBPIKUWRLKFOIK-UHFFFAOYSA-N
Compound name
3-[2-(2-hydroxypentan-3-ylamino)ethylamino]pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.21507 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 163.5
[M+Na]+ 255.20429 164.6
[M-H]- 231.20779 159.9
[M+NH4]+ 250.24889 179.1
[M+K]+ 271.17823 164.0
[M+H-H2O]+ 215.21233 157.2
[M+HCOO]- 277.21327 180.7
[M+CH3COO]- 291.22892 197.6
[M+Na-2H]- 253.18974 161.3
[M]+ 232.21452 161.6
[M]- 232.21562 161.6
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

No patent data available for this compound.