CID 20234581

2-methylcyclobutan-1-ol

Structural Information

Molecular Formula
C5H10O
SMILES
CC1CCC1O
InChI
InChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3
InChIKey
HVPLFSASJVVSHR-UHFFFAOYSA-N
Compound name
2-methylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

415
Patents

86.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 112.7
[M+Na]+ 109.06238 119.3
[M-H]- 85.065890 115.4
[M+NH4]+ 104.10699 129.7
[M+K]+ 125.03632 121.9
[M+H-H2O]+ 69.070426 104.0
[M+HCOO]- 131.07137 134.0
[M+CH3COO]- 145.08702 166.5
[M+Na-2H]- 107.04783 119.2
[M]+ 86.072617 119.4
[M]- 86.073715 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