CID 21441185

2-cyclobutylethanol

Structural Information

Molecular Formula
C6H12O
SMILES
C1CC(C1)CCO
InChI
InChI=1S/C6H12O/c7-5-4-6-2-1-3-6/h6-7H,1-5H2
InChIKey
KUARIPXRZDVUJO-UHFFFAOYSA-N
Compound name
2-cyclobutylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

863
Patents

100.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 118.5
[M+Na]+ 123.07803 124.6
[M+NH4]+ 118.12263 123.6
[M+K]+ 139.05197 121.0
[M-H]- 99.081534 117.0
[M+Na-2H]- 121.06348 121.4
[M]+ 100.08826 117.6
[M]- 100.08936 117.6
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