CID 135409360

Omega-n-allylarginine

Structural Information

Molecular Formula
C9H18N4O2
SMILES
C=CCNC(=NCCC[C@@H](C(=O)O)N)N
InChI
InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1
InChIKey
ZPQWZDPOLXVMOU-ZETCQYMHSA-N
Compound name
(2S)-2-amino-5-[[amino-(prop-2-enylamino)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

214.14297 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15025 151.7
[M+Na]+ 237.13219 154.9
[M+NH4]+ 232.17679 155.7
[M+K]+ 253.10613 152.7
[M-H]- 213.13569 150.1
[M+Na-2H]- 235.11764 151.2
[M]+ 214.14242 150.7
[M]- 214.14352 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe