CID 122462309

(2r)-2-[(2r)-2-aminopent-4-ynamido]propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H12N2O3
SMILES
C[C@H](C(=O)O)NC(=O)[C@@H](CC#C)N
InChI
InChI=1S/C8H12N2O3/c1-3-4-6(9)7(11)10-5(2)8(12)13/h1,5-6H,4,9H2,2H3,(H,10,11)(H,12,13)/t5-,6-/m1/s1
InChIKey
XAJDRUDXNXZVCE-PHDIDXHHSA-N
Compound name
(2R)-2-[[(2R)-2-aminopent-4-ynoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.0848 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 145.5
[M+Na]+ 207.074018 151.5
[M-H]- 183.077524 143.1
[M+NH4]+ 202.118623 161.1
[M+K]+ 223.047958 151.1
[M+H-H2O]+ 167.082060 133.9
[M+HCOO]- 229.083001 160.1
[M+CH3COO]- 243.098651 193.1
[M+Na-2H]- 205.059466 144.5
[M]+ 184.08425142 137.3
[M]- 184.08534858 137.3
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

patents stripe