CID 7497

2-(diethylamino)ethanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCN(CC)CCO
InChI
InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChIKey
BFSVOASYOCHEOV-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

279
References

78014
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.6
[M+Na]+ 140.10458 132.7
[M-H]- 116.10809 126.9
[M+NH4]+ 135.14919 149.1
[M+K]+ 156.07852 133.4
[M+H-H2O]+ 100.11262 121.8
[M+HCOO]- 162.11356 150.7
[M+CH3COO]- 176.12922 174.8
[M+Na-2H]- 138.09003 132.6
[M]+ 117.11482 127.9
[M]- 117.11591 127.9
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