CID 137018

1-ethylcyclopentanol

Structural Information

Molecular Formula
C7H14O
SMILES
CCC1(CCCC1)O
InChI
InChI=1S/C7H14O/c1-2-7(8)5-3-4-6-7/h8H,2-6H2,1H3
InChIKey
LPCWIFPJLFCXRS-UHFFFAOYSA-N
Compound name
1-ethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2785
Patents

114.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 124.9
[M+Na]+ 137.09368 131.5
[M-H]- 113.09718 126.9
[M+NH4]+ 132.13828 150.5
[M+K]+ 153.06762 130.5
[M+H-H2O]+ 97.101720 121.1
[M+HCOO]- 159.10266 146.6
[M+CH3COO]- 173.11831 165.1
[M+Na-2H]- 135.07913 130.5
[M]+ 114.10391 121.6
[M]- 114.10501 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe