CID 5365340

Nsc 91499

Structural Information

Molecular Formula

C₇H₁₄O

SMILES

C/C=C(\C)/C(C)(C)O

InChI

InChI=1S/C7H14O/c1-5-6(2)7(3,4)8/h5,8H,1-4H3/b6-5+

InChIKey

PGCNLWGJQKSWAP-AATRIKPKSA-N

Compound name

(E)-2,3-dimethylpent-3-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 114.10446 Da
Monoisotopic Mass: 1.6
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]+	115.11174	125.3
[M+Na]+	137.09368	132.4
[M-H]-	113.09718	124.6
[M+NH4]+	132.13828	147.7
[M+K]+	153.06762	131.8
[M+H-H2O]+	97.101720	122.0
[M+HCOO]-	159.10266	145.3
[M+CH3COO]-	173.11831	169.0
[M+Na-2H]-	135.07913	130.9
[M]+	114.10391	124.6
[M]-	114.10501	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe