CID 20041454

3-ethylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CCC1CC(C1)O
InChI
InChI=1S/C6H12O/c1-2-5-3-6(7)4-5/h5-7H,2-4H2,1H3
InChIKey
GMZYHUWOVZTDPC-UHFFFAOYSA-N
Compound name
3-ethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 117.5
[M+Na]+ 123.07803 123.7
[M-H]- 99.081534 120.0
[M+NH4]+ 118.12263 133.9
[M+K]+ 139.05197 125.9
[M+H-H2O]+ 83.086070 108.5
[M+HCOO]- 145.08701 138.4
[M+CH3COO]- 159.10266 169.4
[M+Na-2H]- 121.06348 123.4
[M]+ 100.08826 124.5
[M]- 100.08936 124.5
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