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]+ 115.11174 125.7
[M+Na]+ 137.09368 131.1
[M-H]- 113.09718 128.2
[M+NH4]+ 132.13828 143.2
[M+K]+ 153.06762 133.6
[M+H-H2O]+ 97.101720 117.6
[M+HCOO]- 159.10266 145.3
[M+CH3COO]- 173.11831 171.7
[M+Na-2H]- 135.07913 131.3
[M]+ 114.10391 132.3
[M]- 114.10501 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