CID 14052

Ethambutol

Structural Information

Molecular Formula

C₁₀H₂₄N₂O₂

SMILES

CC[C@@H](CO)NCCN[C@@H](CC)CO

InChI

InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1

InChIKey

AEUTYOVWOVBAKS-UWVGGRQHSA-N

Compound name

(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 4760
References: 43704
Patents: 204.18378 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.19106	152.8
[M+Na]+	227.17300	155.2
[M-H]-	203.17650	149.4
[M+NH4]+	222.21760	169.7
[M+K]+	243.14694	154.0
[M+H-H2O]+	187.18104	146.7
[M+HCOO]-	249.18198	172.7
[M+CH3COO]-	263.19763	189.7
[M+Na-2H]-	225.15845	154.4
[M]+	204.18323	151.6
[M]-	204.18433	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe