CID 126666329

1402855-09-7

Structural Information

Molecular Formula
C5H11NO2
SMILES
C1[C@H](C[C@H]([C@@H]1N)O)O
InChI
InChI=1S/C5H11NO2/c6-4-1-3(7)2-5(4)8/h3-5,7-8H,1-2,6H2/t3-,4-,5-/m1/s1
InChIKey
XQZFLHBAZVWOFL-UOWFLXDJSA-N
Compound name
(1R,3R,4R)-4-aminocyclopentane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

117.07898 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.086256 122.7
[M+Na]+ 140.068198 129.7
[M-H]- 116.071704 123.4
[M+NH4]+ 135.112803 145.3
[M+K]+ 156.042138 128.1
[M+H-H2O]+ 100.076240 118.4
[M+HCOO]- 162.077181 144.1
[M+CH3COO]- 176.092831 165.4
[M+Na-2H]- 138.053646 125.7
[M]+ 117.07843142 117.0
[M]- 117.07952858 117.0
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

patents stripe