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

14
Patents

174.11168 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11896 139.1
[M+Na]+ 197.10090 142.7
[M-H]- 173.10440 137.7
[M+NH4]+ 192.14550 156.7
[M+K]+ 213.07484 142.7
[M+H-H2O]+ 157.10894 132.3
[M+HCOO]- 219.10988 162.7
[M+CH3COO]- 233.12553 190.0
[M+Na-2H]- 195.08635 139.8
[M]+ 174.11113 133.3
[M]- 174.11223 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