CID 76764108

Schembl26860470

Structural Information

Molecular Formula
C10H16N2O5
SMILES
COC1=C(C[C@](CC1=NCC(=O)O)(CO)O)N
InChI
InChI=1S/C10H16N2O5/c1-17-9-6(11)2-10(16,5-13)3-7(9)12-4-8(14)15/h13,16H,2-5,11H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey
KYCBIRYKYQCBFO-JTQLQIEISA-N
Compound name
2-[[(5S)-3-amino-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.10593 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 151.0
[M+Na]+ 267.09515 157.0
[M-H]- 243.09865 151.5
[M+NH4]+ 262.13975 168.3
[M+K]+ 283.06909 155.7
[M+H-H2O]+ 227.10319 146.0
[M+HCOO]- 289.10413 171.0
[M+CH3COO]- 303.11978 192.2
[M+Na-2H]- 265.08060 153.7
[M]+ 244.10538 148.8
[M]- 244.10648 148.8
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.