CID 5961

L-glutamine

Structural Information

Molecular Formula
C5H10N2O3
SMILES
C(CC(=O)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKey
ZDXPYRJPNDTMRX-VKHMYHEASA-N
Compound name
(2S)-2,5-diamino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

39517
References

93772
Patents

146.06914 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.076416 130.9
[M+Na]+ 169.058358 136.1
[M-H]- 145.061864 128.8
[M+NH4]+ 164.102963 149.9
[M+K]+ 185.032298 136.1
[M+H-H2O]+ 129.066400 125.5
[M+HCOO]- 191.067341 152.3
[M+CH3COO]- 205.082991 177.1
[M+Na-2H]- 167.043806 132.2
[M]+ 146.06859142 127.0
[M]- 146.06968858 127.0
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