CID 239237

2-cyclopentylpropan-2-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)(C1CCCC1)O
InChI
InChI=1S/C8H16O/c1-8(2,9)7-5-3-4-6-7/h7,9H,3-6H2,1-2H3
InChIKey
PEYUSJVZHOLNDG-UHFFFAOYSA-N
Compound name
2-cyclopentylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 129.9
[M+Na]+ 151.109338 135.6
[M-H]- 127.112844 131.7
[M+NH4]+ 146.153943 153.1
[M+K]+ 167.083278 134.6
[M+H-H2O]+ 111.117380 125.7
[M+HCOO]- 173.118321 149.7
[M+CH3COO]- 187.133971 168.9
[M+Na-2H]- 149.094786 134.6
[M]+ 128.11957142 126.3
[M]- 128.12066858 126.3
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