CID 171990363

Mycosporine-methylamine-serine

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CN(CC(=O)O)C1=C(C(=N)CC(C1)(CO)O)OC
InChI
InChI=1S/C11H18N2O5/c1-13(5-9(15)16)8-4-11(17,6-14)3-7(12)10(8)18-2/h12,14,17H,3-6H2,1-2H3,(H,15,16)
InChIKey
MKXZUSFWRJZUNT-UHFFFAOYSA-N
Compound name
2-[[5-hydroxy-5-(hydroxymethyl)-3-imino-2-methoxycyclohexen-1-yl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12158 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12886 154.9
[M+Na]+ 281.11080 160.1
[M-H]- 257.11430 155.7
[M+NH4]+ 276.15540 171.7
[M+K]+ 297.08474 159.5
[M+H-H2O]+ 241.11884 149.8
[M+HCOO]- 303.11978 174.2
[M+CH3COO]- 317.13543 197.3
[M+Na-2H]- 279.09625 156.9
[M]+ 258.12103 153.5
[M]- 258.12213 153.5
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.