CID 8016

2-(methylamino)ethanol

Structural Information

Molecular Formula
C3H9NO
SMILES
CNCCO
InChI
InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
InChIKey
OPKOKAMJFNKNAS-UHFFFAOYSA-N
Compound name
2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

50
References

83280
Patents

75.06841 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.075686 112.8
[M+Na]+ 98.057628 119.9
[M-H]- 74.061134 112.1
[M+NH4]+ 93.102233 136.2
[M+K]+ 114.03157 120.0
[M+H-H2O]+ 58.065670 108.7
[M+HCOO]- 120.06661 137.2
[M+CH3COO]- 134.08226 162.1
[M+Na-2H]- 96.043076 121.1
[M]+ 75.067861 111.6
[M]- 75.068959 111.6
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