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]+ 129.12740 129.9
[M+Na]+ 151.10934 135.8
[M-H]- 127.11284 131.9
[M+NH4]+ 146.15394 153.2
[M+K]+ 167.08328 134.9
[M+H-H2O]+ 111.11738 125.4
[M+HCOO]- 173.11832 150.3
[M+CH3COO]- 187.13397 170.5
[M+Na-2H]- 149.09479 131.9
[M]+ 128.11957 126.5
[M]- 128.12067 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.