CID 23294

Sec-butyl ether

Structural Information

Molecular Formula

C₈H₁₈O

SMILES

CCC(C)OC(C)CC

InChI

InChI=1S/C8H18O/c1-5-7(3)9-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

HHBZZTKMMLDNDN-UHFFFAOYSA-N

Compound name

2-butan-2-yloxybutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7349
Patents: 130.13577 Da
Monoisotopic Mass: 2.7
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]+	131.14305	131.6
[M+Na]+	153.12499	137.6
[M-H]-	129.12849	131.8
[M+NH4]+	148.16959	153.9
[M+K]+	169.09893	138.4
[M+H-H2O]+	113.13303	127.1
[M+HCOO]-	175.13397	153.1
[M+CH3COO]-	189.14962	177.0
[M+Na-2H]-	151.11044	135.2
[M]+	130.13522	133.9
[M]-	130.13632	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe