CID 57372548

Ferrotrenine

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
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.8
[M+Na]+ 168.06312 136.7
[M-H]- 144.06662 129.9
[M+NH4]+ 163.10772 151.1
[M+K]+ 184.03706 137.1
[M+H-H2O]+ 128.07116 126.0
[M+HCOO]- 190.07210 152.3
[M+CH3COO]- 204.08775 175.5
[M+Na-2H]- 166.04857 133.7
[M]+ 145.07335 130.2
[M]- 145.07445 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.