CID 7902

2-(dimethylamino)ethanol

Structural Information

Molecular Formula
C4H11NO
SMILES
CN(C)CCO
InChI
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChIKey
UEEJHVSXFDXPFK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

333
References

78633
Patents

89.08406 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.091336 117.3
[M+Na]+ 112.073278 124.2
[M-H]- 88.076784 117.9
[M+NH4]+ 107.117883 140.8
[M+K]+ 128.047218 125.5
[M+H-H2O]+ 72.081320 112.9
[M+HCOO]- 134.082261 142.0
[M+CH3COO]- 148.097911 168.7
[M+Na-2H]- 110.058726 124.4
[M]+ 89.08351142 117.8
[M]- 89.08460858 117.8
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