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

1118
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 154.7
[M+Na]+ 263.11146 158.4
[M-H]- 239.11496 152.2
[M+NH4]+ 258.15606 168.5
[M+K]+ 279.08540 156.3
[M+H-H2O]+ 223.11950 146.5
[M+HCOO]- 285.12044 173.6
[M+CH3COO]- 299.13609 190.7
[M+Na-2H]- 261.09691 155.4
[M]+ 240.12169 151.2
[M]- 240.12279 151.2
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