CID 54437538

Formyl-l-isoglutamine

Structural Information

Molecular Formula
C6H10N2O4
SMILES
C(CC(=O)O)[C@@H](C(=O)N)NC=O
InChI
InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey
WLTXUKAQFBTJKS-BYPYZUCNSA-N
Compound name
(4S)-5-amino-4-formamido-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

174.06406 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07134 135.8
[M+Na]+ 197.05328 140.8
[M-H]- 173.05678 134.1
[M+NH4]+ 192.09788 153.9
[M+K]+ 213.02722 140.8
[M+H-H2O]+ 157.06132 130.1
[M+HCOO]- 219.06226 158.0
[M+CH3COO]- 233.07791 182.0
[M+Na-2H]- 195.03873 137.9
[M]+ 174.06351 134.1
[M]- 174.06461 134.1
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

patents stripe