CID 10243361

Homocarnosine

Structural Information

Molecular Formula
C10H16N4O3
SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCCN
InChI
InChI=1S/C10H16N4O3/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m0/s1
InChIKey
CCLQKVKJOGVQLU-QMMMGPOBSA-N
Compound name
(2S)-2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

159
References

1113
Patents

240.12224 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 154.9
[M+Na]+ 263.11146 159.6
[M+NH4]+ 258.15606 158.2
[M+K]+ 279.08540 159.8
[M-H]- 239.11496 152.0
[M+Na-2H]- 261.09691 155.6
[M]+ 240.12169 153.8
[M]- 240.12279 153.8
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