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]+ 158.081176 131.6
[M+Na]+ 180.063118 139.1
[M-H]- 156.066624 133.8
[M+NH4]+ 175.107723 153.3
[M+K]+ 196.037058 138.2
[M+H-H2O]+ 140.071160 126.6
[M+HCOO]- 202.072101 154.7
[M+CH3COO]- 216.087751 175.1
[M+Na-2H]- 178.048566 133.8
[M]+ 157.07335142 129.9
[M]- 157.07444858 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.