CID 54353120

4-cyclobutylbutan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
C1CC(C1)CCCCO
InChI
InChI=1S/C8H16O/c9-7-2-1-4-8-5-3-6-8/h8-9H,1-7H2
InChIKey
QIIBIJKQNAIKHF-UHFFFAOYSA-N
Compound name
4-cyclobutylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

128.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 127.0
[M+Na]+ 151.109338 131.4
[M-H]- 127.112844 128.7
[M+NH4]+ 146.153943 142.0
[M+K]+ 167.083278 133.2
[M+H-H2O]+ 111.117380 117.3
[M+HCOO]- 173.118321 147.3
[M+CH3COO]- 187.133971 174.2
[M+Na-2H]- 149.094786 132.5
[M]+ 128.11957142 134.3
[M]- 128.12066858 134.3
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