CID 57372548

Ferrotrenine (jan/inn)

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC=N[C@@H]([C@@H](C)O)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-3-7-5(4(2)8)6(9)10/h3-5,8H,1-2H3,(H,9,10)/t4-,5+/m1/s1
InChIKey
GWZHLZDXVZJORH-UHNVWZDZSA-N
Compound name
(2S,3R)-2-(ethylideneamino)-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

145.0739 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 130.8
[M+Na]+ 168.063118 136.7
[M-H]- 144.066624 129.9
[M+NH4]+ 163.107723 151.1
[M+K]+ 184.037058 137.1
[M+H-H2O]+ 128.071160 126.0
[M+HCOO]- 190.072101 152.3
[M+CH3COO]- 204.087751 175.5
[M+Na-2H]- 166.048566 133.7
[M]+ 145.07335142 130.2
[M]- 145.07444858 130.2
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.