CID 93483367

Ns00065528

Structural Information

Molecular Formula
C12H28N2O4
SMILES
C(CO)C(CCO)NCCNC(CCO)CCO
InChI
InChI=1S/C12H28N2O4/c15-7-1-11(2-8-16)13-5-6-14-12(3-9-17)4-10-18/h11-18H,1-10H2
InChIKey
FIHAQRFTZANOJE-UHFFFAOYSA-N
Compound name
3-[2-(1,5-dihydroxypentan-3-ylamino)ethylamino]pentane-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.2049 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.212176 165.7
[M+Na]+ 287.194118 166.1
[M-H]- 263.197624 159.0
[M+NH4]+ 282.238723 178.5
[M+K]+ 303.168058 163.9
[M+H-H2O]+ 247.202160 159.0
[M+HCOO]- 309.203101 182.4
[M+CH3COO]- 323.218751 195.3
[M+Na-2H]- 285.179566 165.5
[M]+ 264.20435142 164.3
[M]- 264.20544858 164.3
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.