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

32
Patents

124.08881 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 125.9
[M+Na]+ 147.07803 141.5
[M-H]- 123.08153 130.7
[M+NH4]+ 142.12263 144.6
[M+K]+ 163.05197 136.1
[M+H-H2O]+ 107.08607 119.2
[M+HCOO]- 169.08701 143.1
[M+CH3COO]- 183.10266 182.0
[M+Na-2H]- 145.06348 134.7
[M]+ 124.08826 124.7
[M]- 124.08936 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