CID 517872

(3-methylidenecyclobutyl)methanol

Structural Information

Molecular Formula
C6H10O
SMILES
C=C1CC(C1)CO
InChI
InChI=1S/C6H10O/c1-5-2-6(3-5)4-7/h6-7H,1-4H2
InChIKey
NCCDWBWIMWQQOM-UHFFFAOYSA-N
Compound name
(3-methylidenecyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

98.073166 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 116.2
[M+Na]+ 121.062384 122.7
[M-H]- 97.065890 118.8
[M+NH4]+ 116.106989 132.7
[M+K]+ 137.036324 124.4
[M+H-H2O]+ 81.070426 107.4
[M+HCOO]- 143.071367 137.4
[M+CH3COO]- 157.087017 168.5
[M+Na-2H]- 119.047832 122.2
[M]+ 98.07261742 122.6
[M]- 98.07371458 122.6
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