CID 12700841

[3-(dimethylamino)-2-hydroxypropyl](methyl)amine

Structural Information

Molecular Formula
C6H16N2O
SMILES
CNCC(CN(C)C)O
InChI
InChI=1S/C6H16N2O/c1-7-4-6(9)5-8(2)3/h6-7,9H,4-5H2,1-3H3
InChIKey
ZISBGZVIQGRTRQ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(methylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

132.12627 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.13355 131.4
[M+Na]+ 155.11549 136.3
[M-H]- 131.11899 131.6
[M+NH4]+ 150.16009 152.7
[M+K]+ 171.08943 137.4
[M+H-H2O]+ 115.12353 125.9
[M+HCOO]- 177.12447 155.3
[M+CH3COO]- 191.14012 180.6
[M+Na-2H]- 153.10094 136.1
[M]+ 132.12572 131.0
[M]- 132.12682 131.0
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

patents stripe