CID 3087205

N-(pyrrolidinylidene-2)glutamine

Structural Information

Molecular Formula
C9H15N3O3
SMILES
C1CC(=NC1)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C9H15N3O3/c10-7(13)4-3-6(9(14)15)12-8-2-1-5-11-8/h6H,1-5H2,(H2,10,13)(H,11,12)(H,14,15)/t6-/m0/s1
InChIKey
NOGDSGMXMLEQES-LURJTMIESA-N
Compound name
(2S)-5-amino-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.11134 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 148.5
[M+Na]+ 236.10056 153.3
[M+NH4]+ 231.14516 153.2
[M+K]+ 252.07450 153.3
[M-H]- 212.10406 146.8
[M+Na-2H]- 234.08601 149.5
[M]+ 213.11079 147.8
[M]- 213.11189 147.8
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.