CID 53997645

2-cyclobutylpropan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC(CO)C1CCC1
InChI
InChI=1S/C7H14O/c1-6(5-8)7-3-2-4-7/h6-8H,2-5H2,1H3
InChIKey
KXVVMLKYZIOIFO-UHFFFAOYSA-N
Compound name
2-cyclobutylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

114.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 124.3
[M+Na]+ 137.093678 128.8
[M-H]- 113.097184 126.3
[M+NH4]+ 132.138283 139.8
[M+K]+ 153.067618 131.3
[M+H-H2O]+ 97.101720 114.8
[M+HCOO]- 159.102661 143.9
[M+CH3COO]- 173.118311 172.1
[M+Na-2H]- 135.079126 128.9
[M]+ 114.10391142 130.6
[M]- 114.10500858 130.6
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