CID 8132

2-(butylamino)ethanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CCCCNCCO
InChI
InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
InChIKey
LJDSTRZHPWMDPG-UHFFFAOYSA-N
Compound name
2-(butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

14942
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.5
[M+Na]+ 140.10458 132.4
[M-H]- 116.10809 125.3
[M+NH4]+ 135.14919 148.3
[M+K]+ 156.07852 131.7
[M+H-H2O]+ 100.11262 121.8
[M+HCOO]- 162.11356 150.0
[M+CH3COO]- 176.12922 171.3
[M+Na-2H]- 138.09003 133.3
[M]+ 117.11482 126.5
[M]- 117.11591 126.5
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