CID 155802035

Palythine-serine

Structural Information

Molecular Formula
C11H18N2O6
SMILES
COC1=C(C[C@@](CC1=NC(CO)C(=O)O)(CO)O)N
InChI
InChI=1S/C11H18N2O6/c1-19-9-6(12)2-11(18,5-15)3-7(9)13-8(4-14)10(16)17/h8,14-15,18H,2-5,12H2,1H3,(H,16,17)/t8?,11-/m1/s1
InChIKey
DQSPXKUKKXDNIL-QHDYGNBISA-N
Compound name
2-[[(5R)-3-amino-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1165 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12378 158.5
[M+Na]+ 297.10572 163.2
[M-H]- 273.10922 157.4
[M+NH4]+ 292.15032 173.6
[M+K]+ 313.07966 162.1
[M+H-H2O]+ 257.11376 153.4
[M+HCOO]- 319.11470 175.8
[M+CH3COO]- 333.13035 196.5
[M+Na-2H]- 295.09117 159.1
[M]+ 274.11595 155.6
[M]- 274.11705 155.6
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.