CID 122706158

4,5-dehydro-l-arginine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C(/C=C/N=C(N)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3-4H,2,7H2,(H,11,12)(H4,8,9,10)/b3-1+/t4-/m0/s1
InChIKey
FVSQXMGZDMFDEJ-REJIZHKJSA-N
Compound name
(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

172.09602 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 138.2
[M+Na]+ 195.085238 142.2
[M-H]- 171.088744 137.0
[M+NH4]+ 190.129843 155.9
[M+K]+ 211.059178 141.6
[M+H-H2O]+ 155.093280 131.5
[M+HCOO]- 217.094221 162.1
[M+CH3COO]- 231.109871 188.4
[M+Na-2H]- 193.070686 138.9
[M]+ 172.09547142 131.6
[M]- 172.09656858 131.6
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.