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]+ 185.09208 142.9
[M+Na]+ 207.07402 148.5
[M+NH4]+ 202.11862 144.2
[M+K]+ 223.04796 143.8
[M-H]- 183.07752 132.6
[M+Na-2H]- 205.05947 140.3
[M]+ 184.08425 139.3
[M]- 184.08535 139.3
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