CID 91820575

L-beta-arginine

Structural Information

Molecular Formula
C6H14N4O2
SMILES
C(CN=C(N)N)[C@@H](CC(=O)O)N
InChI
InChI=1S/C6H14N4O2/c7-4(3-5(11)12)1-2-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKey
XGSVDFYDYLLWRN-BYPYZUCNSA-N
Compound name
(3S)-3-amino-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

174.11168 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.118956 139.1
[M+Na]+ 197.100898 142.7
[M-H]- 173.104404 137.7
[M+NH4]+ 192.145503 156.7
[M+K]+ 213.074838 142.7
[M+H-H2O]+ 157.108940 132.3
[M+HCOO]- 219.109881 162.7
[M+CH3COO]- 233.125531 190.0
[M+Na-2H]- 195.086346 139.8
[M]+ 174.11113142 133.3
[M]- 174.11222858 133.3
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