CID 155802269

Euhalothece-362

Structural Information

Molecular Formula
C14H22N2O7
SMILES
CC(C(=O)O)N=C1C[C@](CC(=C1OC)NC=C(CO)O)(CO)O
InChI
InChI=1S/C14H22N2O7/c1-8(13(20)21)16-11-4-14(22,7-18)3-10(12(11)23-2)15-5-9(19)6-17/h5,8,15,17-19,22H,3-4,6-7H2,1-2H3,(H,20,21)/t8?,14-/m1/s1
InChIKey
LFVNAUNRQHDMMU-NVDIHYKVSA-N
Compound name
2-[[(5R)-3-(2,3-dihydroxyprop-1-enylamino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohex-2-en-1-ylidene]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.1427 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14998 172.6
[M+Na]+ 353.13192 175.4
[M-H]- 329.13542 170.1
[M+NH4]+ 348.17652 184.7
[M+K]+ 369.10586 174.2
[M+H-H2O]+ 313.13996 167.3
[M+HCOO]- 375.14090 187.4
[M+CH3COO]- 389.15655 205.9
[M+Na-2H]- 351.11737 171.4
[M]+ 330.14215 170.0
[M]- 330.14325 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.