CID 142164375

1194794-42-7

Structural Information

Molecular Formula
C8H16O
SMILES
C[C@@H]1CCC[C@H]1C(C)O
InChI
InChI=1S/C8H16O/c1-6-4-3-5-8(6)7(2)9/h6-9H,3-5H2,1-2H3/t6-,7?,8-/m1/s1
InChIKey
PWNGUKSWPILNCX-OECOWPMFSA-N
Compound name
1-[(1R,2R)-2-methylcyclopentyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 129.9
[M+Na]+ 151.109338 135.8
[M-H]- 127.112844 131.9
[M+NH4]+ 146.153943 153.2
[M+K]+ 167.083278 134.9
[M+H-H2O]+ 111.117380 125.4
[M+HCOO]- 173.118321 150.3
[M+CH3COO]- 187.133971 170.5
[M+Na-2H]- 149.094786 131.9
[M]+ 128.11957142 126.5
[M]- 128.12066858 126.5
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

No patent data available for this compound.