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 148.2
[M+Na]+ 236.10056 151.8
[M-H]- 212.10406 148.1
[M+NH4]+ 231.14516 165.0
[M+K]+ 252.07450 150.9
[M+H-H2O]+ 196.10860 140.9
[M+HCOO]- 258.10954 168.7
[M+CH3COO]- 272.12519 187.6
[M+Na-2H]- 234.08601 148.7
[M]+ 213.11079 144.2
[M]- 213.11189 144.2
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.