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

46
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]+ 121.06238 122.7
[M-H]- 97.065890 118.8
[M+NH4]+ 116.10699 132.7
[M+K]+ 137.03632 124.4
[M+H-H2O]+ 81.070426 107.4
[M+HCOO]- 143.07137 137.4
[M+CH3COO]- 157.08702 168.5
[M+Na-2H]- 119.04783 122.2
[M]+ 98.072617 122.6
[M]- 98.073715 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