CID 439401

4-methylene-l-glutamine

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C=C(C[C@@H](C(=O)O)N)C(=O)N
InChI
InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
InChIKey
CEVQXWMPODOBRM-BYPYZUCNSA-N
Compound name
(2S)-2-amino-4-carbamoylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

158.06914 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 134.5
[M+Na]+ 181.058358 139.4
[M-H]- 157.061864 132.4
[M+NH4]+ 176.102963 152.9
[M+K]+ 197.032298 139.1
[M+H-H2O]+ 141.066400 129.1
[M+HCOO]- 203.067341 154.8
[M+CH3COO]- 217.082991 180.3
[M+Na-2H]- 179.043806 134.1
[M]+ 158.06859142 129.7
[M]- 158.06968858 129.7
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