CID 145025

1-ethylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CCC1(CCC1)O
InChI
InChI=1S/C6H12O/c1-2-6(7)4-3-5-6/h7H,2-5H2,1H3
InChIKey
ZQXBPTKCIMXYMS-UHFFFAOYSA-N
Compound name
1-ethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

100.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.2
[M+Na]+ 123.07803 125.4
[M-H]- 99.081534 121.8
[M+NH4]+ 118.12263 137.3
[M+K]+ 139.05197 127.6
[M+H-H2O]+ 83.086070 111.3
[M+HCOO]- 145.08701 140.1
[M+CH3COO]- 159.10266 167.9
[M+Na-2H]- 121.06348 126.7
[M]+ 100.08826 126.1
[M]- 100.08936 126.1
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