CID 166000814

Rac-(1r,2s,3r)-3-chloro-2-methoxycyclobutan-1-ol

Structural Information

Molecular Formula
C5H9ClO2
SMILES
CO[C@@H]1[C@H](C[C@@H]1Cl)O
InChI
InChI=1S/C5H9ClO2/c1-8-5-3(6)2-4(5)7/h3-5,7H,2H2,1H3/t3-,4-,5-/m0/s1
InChIKey
MURMHPGHTRKAKK-YUPRTTJUSA-N
Compound name
(1S,2R,3S)-3-chloro-2-methoxycyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.02911 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.036386 117.8
[M+Na]+ 159.018328 126.1
[M-H]- 135.021834 120.5
[M+NH4]+ 154.062933 134.0
[M+K]+ 174.992268 126.9
[M+H-H2O]+ 119.026370 110.1
[M+HCOO]- 181.027311 135.0
[M+CH3COO]- 195.042961 173.3
[M+Na-2H]- 157.003776 123.5
[M]+ 136.02856142 128.0
[M]- 136.02965858 128.0
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.