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]+ 173.10330 138.2
[M+Na]+ 195.08524 142.2
[M-H]- 171.08874 137.0
[M+NH4]+ 190.12984 155.9
[M+K]+ 211.05918 141.6
[M+H-H2O]+ 155.09328 131.5
[M+HCOO]- 217.09422 162.1
[M+CH3COO]- 231.10987 188.4
[M+Na-2H]- 193.07069 138.9
[M]+ 172.09547 131.6
[M]- 172.09657 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.