CID 165999721

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

Structural Information

Molecular Formula
C7H11NO3
SMILES
COC(=O)C1=C[C@@H]([C@@H](C1)N)O
InChI
InChI=1S/C7H11NO3/c1-11-7(10)4-2-5(8)6(9)3-4/h3,5-6,9H,2,8H2,1H3/t5-,6+/m1/s1
InChIKey
YANAVGSJDPCNEH-RITPCOANSA-N
Compound name
methyl (3S,4R)-4-amino-3-hydroxycyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 131.6
[M+Na]+ 180.06312 139.1
[M-H]- 156.06662 133.8
[M+NH4]+ 175.10772 153.3
[M+K]+ 196.03706 138.2
[M+H-H2O]+ 140.07116 126.6
[M+HCOO]- 202.07210 154.7
[M+CH3COO]- 216.08775 175.1
[M+Na-2H]- 178.04857 133.8
[M]+ 157.07335 129.9
[M]- 157.07445 129.9
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.