CID 109436

68516-26-7

Structural Information

Molecular Formula
C11H25N3O3
SMILES
CC(CN1CN(CN(C1)CC(C)O)CCO)O
InChI
InChI=1S/C11H25N3O3/c1-10(16)5-13-7-12(3-4-15)8-14(9-13)6-11(2)17/h10-11,15-17H,3-9H2,1-2H3
InChIKey
FBCNEJKDTBHWGD-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxyethyl)-5-(2-hydroxypropyl)-1,3,5-triazinan-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.18959 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.19687 163.0
[M+Na]+ 270.17881 166.4
[M-H]- 246.18231 157.3
[M+NH4]+ 265.22341 174.1
[M+K]+ 286.15275 164.2
[M+H-H2O]+ 230.18685 155.2
[M+HCOO]- 292.18779 172.6
[M+CH3COO]- 306.20344 189.4
[M+Na-2H]- 268.16426 161.8
[M]+ 247.18904 159.1
[M]- 247.19014 159.1
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.