CID 53651403

Dihydrorhizobitoxine

Structural Information

Molecular Formula
C7H16N2O4
SMILES
C(COCC(CO)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N2O4/c8-5(3-10)4-13-2-1-6(9)7(11)12/h5-6,10H,1-4,8-9H2,(H,11,12)/t5?,6-/m0/s1
InChIKey
AMWXKTONOZFJHL-GDVGLLTNSA-N
Compound name
(2S)-2-amino-4-(2-amino-3-hydroxypropoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

192.11101 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.11829 143.0
[M+Na]+ 215.10023 147.1
[M+NH4]+ 210.14483 147.0
[M+K]+ 231.07417 146.3
[M-H]- 191.10373 139.4
[M+Na-2H]- 213.08568 141.8
[M]+ 192.11046 141.7
[M]- 192.11156 141.7
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

patents stripe