CID 6427006

Arginyllysine

Structural Information

Molecular Formula
C12H26N6O3
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17)/t8-,9-/m0/s1
InChIKey
JQFZHHSQMKZLRU-IUCAKERBSA-N
Compound name
(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

6700
Patents

302.20663 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21391 172.3
[M+Na]+ 325.19585 171.6
[M-H]- 301.19935 169.7
[M+NH4]+ 320.24045 183.6
[M+K]+ 341.16979 172.0
[M+H-H2O]+ 285.20389 163.3
[M+HCOO]- 347.20483 193.8
[M+CH3COO]- 361.22048 221.6
[M+Na-2H]- 323.18130 167.6
[M]+ 302.20608 165.5
[M]- 302.20718 165.5
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