CID 166000814

En300-39873814

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]+ 137.03639 117.8
[M+Na]+ 159.01833 126.1
[M-H]- 135.02183 120.5
[M+NH4]+ 154.06293 134.0
[M+K]+ 174.99227 126.9
[M+H-H2O]+ 119.02637 110.1
[M+HCOO]- 181.02731 135.0
[M+CH3COO]- 195.04296 173.3
[M+Na-2H]- 157.00378 123.5
[M]+ 136.02856 128.0
[M]- 136.02966 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.