CID 469922

2-[2-[1-(hydroxymethyl)propyl-methyl-amino]ethyl-methyl-amino]butan-1-ol

Structural Information

Molecular Formula
C12H28N2O2
SMILES
CCC(CO)N(C)CCN(C)C(CC)CO
InChI
InChI=1S/C12H28N2O2/c1-5-11(9-15)13(3)7-8-14(4)12(6-2)10-16/h11-12,15-16H,5-10H2,1-4H3
InChIKey
JDUGXBIFCYWLQZ-UHFFFAOYSA-N
Compound name
2-[2-[1-hydroxybutan-2-yl(methyl)amino]ethyl-methylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

232.21507 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22235 162.9
[M+Na]+ 255.20429 164.9
[M-H]- 231.20779 162.2
[M+NH4]+ 250.24889 180.0
[M+K]+ 271.17823 165.9
[M+H-H2O]+ 215.21233 156.3
[M+HCOO]- 277.21327 183.1
[M+CH3COO]- 291.22892 202.5
[M+Na-2H]- 253.18974 161.9
[M]+ 232.21452 165.0
[M]- 232.21562 165.0
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

patents stripe