CID 58887274

1-(propan-2-yl)cyclobutan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)C1(CCC1)O
InChI
InChI=1S/C7H14O/c1-6(2)7(8)4-3-5-7/h6,8H,3-5H2,1-2H3
InChIKey
QCLSNAOXCWQKHC-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 125.7
[M+Na]+ 137.093678 131.1
[M-H]- 113.097184 128.2
[M+NH4]+ 132.138283 143.2
[M+K]+ 153.067618 133.6
[M+H-H2O]+ 97.101720 117.6
[M+HCOO]- 159.102661 145.3
[M+CH3COO]- 173.118311 171.7
[M+Na-2H]- 135.079126 131.3
[M]+ 114.10391142 132.3
[M]- 114.10500858 132.3
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