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

22
Patents

114.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 124.3
[M+Na]+ 137.09368 128.8
[M-H]- 113.09718 126.3
[M+NH4]+ 132.13828 139.8
[M+K]+ 153.06762 131.3
[M+H-H2O]+ 97.101720 114.8
[M+HCOO]- 159.10266 143.9
[M+CH3COO]- 173.11831 172.1
[M+Na-2H]- 135.07913 128.9
[M]+ 114.10391 130.6
[M]- 114.10501 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