CID 446132

H-ala-arg-oh

Structural Information

Molecular Formula
C9H19N5O3
SMILES
C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N
InChI
InChI=1S/C9H19N5O3/c1-5(10)7(15)14-6(8(16)17)3-2-4-13-9(11)12/h5-6H,2-4,10H2,1H3,(H,14,15)(H,16,17)(H4,11,12,13)/t5-,6-/m0/s1
InChIKey
SITWEMZOJNKJCH-WDSKDSINSA-N
Compound name
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2322
Patents

245.14879 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15607 158.4
[M+Na]+ 268.13801 158.9
[M+NH4]+ 263.18261 160.8
[M+K]+ 284.11195 159.5
[M-H]- 244.14151 155.9
[M+Na-2H]- 266.12346 156.0
[M]+ 245.14824 156.5
[M]- 245.14934 156.5
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