CID 10654218

Refchem:872540

Structural Information

Molecular Formula
C4H9NO
SMILES
C1C[C@@H]([C@@H]1N)O
InChI
InChI=1S/C4H9NO/c5-3-1-2-4(3)6/h3-4,6H,1-2,5H2/t3-,4+/m1/s1
InChIKey
WXKBWWIWJCCING-DMTCNVIQSA-N
Compound name
cis-(1S,2R)-2-aminocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

187
Patents

87.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 114.9
[M+Na]+ 110.057628 120.8
[M-H]- 86.061134 117.0
[M+NH4]+ 105.102233 131.1
[M+K]+ 126.031568 123.2
[M+H-H2O]+ 70.065670 105.3
[M+HCOO]- 132.066611 136.6
[M+CH3COO]- 146.082261 167.5
[M+Na-2H]- 108.043076 120.6
[M]+ 87.06786142 119.3
[M]- 87.06895858 119.3
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

patents stripe