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

117
Patents

128.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 127.0
[M+Na]+ 151.10934 131.4
[M-H]- 127.11284 128.7
[M+NH4]+ 146.15394 142.0
[M+K]+ 167.08328 133.2
[M+H-H2O]+ 111.11738 117.3
[M+HCOO]- 173.11832 147.3
[M+CH3COO]- 187.13397 174.2
[M+Na-2H]- 149.09479 132.5
[M]+ 128.11957 134.3
[M]- 128.12067 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