CID 22129000

37418-60-3

Structural Information

Molecular Formula
C7H10O
SMILES
C#CCC1(CCC1)O
InChI
InChI=1S/C7H10O/c1-2-4-7(8)5-3-6-7/h1,8H,3-6H2
InChIKey
SGEZRFWQVYNBRJ-UHFFFAOYSA-N
Compound name
1-prop-2-ynylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

110.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 118.1
[M+Na]+ 133.062384 126.7
[M-H]- 109.065890 120.1
[M+NH4]+ 128.106989 134.1
[M+K]+ 149.036324 127.6
[M+H-H2O]+ 93.070426 105.1
[M+HCOO]- 155.071367 133.9
[M+CH3COO]- 169.087017 178.7
[M+Na-2H]- 131.047832 124.9
[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