CID 58120572

2227549-60-0

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC(C)OCCCC#C

InChI

InChI=1S/C8H14O/c1-4-5-6-7-9-8(2)3/h1,8H,5-7H2,2-3H3

InChIKey

JZELPAJXJDZWGG-UHFFFAOYSA-N

Compound name

5-propan-2-yloxypent-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 126.10446 Da
Monoisotopic Mass: 1.8
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]+	127.11174	125.4
[M+Na]+	149.09368	134.2
[M-H]-	125.09718	125.1
[M+NH4]+	144.13828	145.5
[M+K]+	165.06762	133.1
[M+H-H2O]+	109.10172	115.1
[M+HCOO]-	171.10266	142.6
[M+CH3COO]-	185.11831	183.4
[M+Na-2H]-	147.07913	130.1
[M]+	126.10391	122.3
[M]-	126.10501	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe