CID 155973691

Methyl (1s,3r,4s)-3-amino-4-hydroxycyclopentane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
COC(=O)[C@H]1C[C@H]([C@H](C1)O)N
InChI
InChI=1S/C7H13NO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3,8H2,1H3/t4-,5+,6-/m0/s1
InChIKey
VFNBELKXKOPBJT-JKUQZMGJSA-N
Compound name
methyl (1S,3R,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08954 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 133.5
[M+Na]+ 182.078758 140.0
[M-H]- 158.082264 135.3
[M+NH4]+ 177.123363 155.0
[M+K]+ 198.052698 139.3
[M+H-H2O]+ 142.086800 128.6
[M+HCOO]- 204.087741 155.1
[M+CH3COO]- 218.103391 175.5
[M+Na-2H]- 180.064206 134.7
[M]+ 159.08899142 130.4
[M]- 159.09008858 130.4
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.