CID 54290032

Gaba-l-arginine

Structural Information

Molecular Formula
C10H21N5O3
SMILES
C(C[C@@H](C(=O)O)NC(=O)CCCN)CN=C(N)N
InChI
InChI=1S/C10H21N5O3/c11-5-1-4-8(16)15-7(9(17)18)3-2-6-14-10(12)13/h7H,1-6,11H2,(H,15,16)(H,17,18)(H4,12,13,14)/t7-/m0/s1
InChIKey
RWVVCWHSHOUJBD-ZETCQYMHSA-N
Compound name
(2S)-2-(4-aminobutanoylamino)-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16443 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17171 161.0
[M+Na]+ 282.15365 162.1
[M-H]- 258.15715 159.0
[M+NH4]+ 277.19825 174.6
[M+K]+ 298.12759 162.1
[M+H-H2O]+ 242.16169 152.8
[M+HCOO]- 304.16263 183.8
[M+CH3COO]- 318.17828 209.4
[M+Na-2H]- 280.13910 159.0
[M]+ 259.16388 155.8
[M]- 259.16498 155.8
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

No patent data available for this compound.