CID 21996040

(1-ethylcyclobutyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CCC1(CCC1)CO
InChI
InChI=1S/C7H14O/c1-2-7(6-8)4-3-5-7/h8H,2-6H2,1H3
InChIKey
MFAVFTVSWZTMIC-UHFFFAOYSA-N
Compound name
(1-ethylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
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 123.8
[M+Na]+ 137.09368 129.6
[M-H]- 113.09718 126.3
[M+NH4]+ 132.13828 141.4
[M+K]+ 153.06762 131.6
[M+H-H2O]+ 97.101720 115.7
[M+HCOO]- 159.10266 144.5
[M+CH3COO]- 173.11831 170.9
[M+Na-2H]- 135.07913 130.8
[M]+ 114.10391 131.1
[M]- 114.10501 131.1
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