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 145.5
[M+Na]+ 207.07402 151.5
[M-H]- 183.07752 143.1
[M+NH4]+ 202.11862 161.1
[M+K]+ 223.04796 151.1
[M+H-H2O]+ 167.08206 133.9
[M+HCOO]- 229.08300 160.1
[M+CH3COO]- 243.09865 193.1
[M+Na-2H]- 205.05947 144.5
[M]+ 184.08425 137.3
[M]- 184.08535 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