CID 523212

2-(1-methylcyclopropyl)but-3-yn-2-ol

Structural Information

Molecular Formula
C8H12O
SMILES
CC1(CC1)C(C)(C#C)O
InChI
InChI=1S/C8H12O/c1-4-8(3,9)7(2)5-6-7/h1,9H,5-6H2,2-3H3
InChIKey
MWOFUOAWMMDAHZ-UHFFFAOYSA-N
Compound name
2-(1-methylcyclopropyl)but-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

124.08881 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 125.9
[M+Na]+ 147.078028 141.5
[M-H]- 123.081534 130.7
[M+NH4]+ 142.122633 144.6
[M+K]+ 163.051968 136.1
[M+H-H2O]+ 107.086070 119.2
[M+HCOO]- 169.087011 143.1
[M+CH3COO]- 183.102661 182.0
[M+Na-2H]- 145.063476 134.7
[M]+ 124.08826142 124.7
[M]- 124.08935858 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe