CID 12820045

1-cyclopropylbut-3-yn-1-ol

Structural Information

Molecular Formula
C7H10O
SMILES
C#CCC(C1CC1)O
InChI
InChI=1S/C7H10O/c1-2-3-7(8)6-4-5-6/h1,6-8H,3-5H2
InChIKey
WMGKDAXGWRRUHT-UHFFFAOYSA-N
Compound name
1-cyclopropylbut-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 118.1
[M+Na]+ 133.062384 132.8
[M-H]- 109.065890 122.4
[M+NH4]+ 128.106989 135.4
[M+K]+ 149.036324 127.3
[M+H-H2O]+ 93.070426 109.8
[M+HCOO]- 155.071367 136.5
[M+CH3COO]- 169.087017 180.2
[M+Na-2H]- 131.047832 125.1
[M]+ 110.07261742 116.0
[M]- 110.07371458 116.0
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

No patent data available for this compound.