CID 12094131

(2r)-2-methoxycyclopentan-1-one

Structural Information

Molecular Formula
C6H10O2
SMILES
CO[C@@H]1CCCC1=O
InChI
InChI=1S/C6H10O2/c1-8-6-4-2-3-5(6)7/h6H,2-4H2,1H3/t6-/m1/s1
InChIKey
OLNNYNLMEOFPET-ZCFIWIBFSA-N
Compound name
(2R)-2-methoxycyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

114.06808 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 120.9
[M+Na]+ 137.05730 128.6
[M-H]- 113.06080 124.5
[M+NH4]+ 132.10190 145.4
[M+K]+ 153.03124 128.6
[M+H-H2O]+ 97.065340 116.4
[M+HCOO]- 159.06628 144.9
[M+CH3COO]- 173.08193 167.4
[M+Na-2H]- 135.04275 125.9
[M]+ 114.06753 120.1
[M]- 114.06863 120.1
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

No patent data available for this compound.