CID 215334

2,3-dimethylpent-1-en-4-yn-3-ol

Structural Information

Molecular Formula
C7H10O
SMILES
CC(=C)C(C)(C#C)O
InChI
InChI=1S/C7H10O/c1-5-7(4,8)6(2)3/h1,8H,2H2,3-4H3
InChIKey
DYZLLZCBSQZDBN-UHFFFAOYSA-N
Compound name
2,3-dimethylpent-1-en-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

110.073166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 125.7
[M+Na]+ 133.062384 135.0
[M-H]- 109.065890 124.7
[M+NH4]+ 128.106989 145.7
[M+K]+ 149.036324 133.3
[M+H-H2O]+ 93.070426 116.4
[M+HCOO]- 155.071367 140.5
[M+CH3COO]- 169.087017 177.6
[M+Na-2H]- 131.047832 130.4
[M]+ 110.07261742 119.4
[M]- 110.07371458 119.4
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