CID 469993

1,4-butanediol, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C10H24N2O4
SMILES
C(CO)C(CO)NCCNC(CCO)CO
InChI
InChI=1S/C10H24N2O4/c13-5-1-9(7-15)11-3-4-12-10(8-16)2-6-14/h9-16H,1-8H2
InChIKey
MIQYJRGPXAXABZ-UHFFFAOYSA-N
Compound name
2-[2-(1,4-dihydroxybutan-2-ylamino)ethylamino]butane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.17361 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18089 157.1
[M+Na]+ 259.16283 158.4
[M-H]- 235.16633 150.7
[M+NH4]+ 254.20743 171.0
[M+K]+ 275.13677 156.6
[M+H-H2O]+ 219.17087 150.8
[M+HCOO]- 281.17181 174.4
[M+CH3COO]- 295.18746 189.3
[M+Na-2H]- 257.14828 157.9
[M]+ 236.17306 154.9
[M]- 236.17416 154.9
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.