CID 132862

Tilarginine

Structural Information

Molecular Formula
C7H16N4O2
SMILES
CN=C(N)NCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
InChIKey
NTNWOCRCBQPEKQ-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4584
References

7994
Patents

188.12732 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.134596 143.8
[M+Na]+ 211.116538 147.0
[M-H]- 187.120044 142.9
[M+NH4]+ 206.161143 161.3
[M+K]+ 227.090478 147.2
[M+H-H2O]+ 171.124580 136.9
[M+HCOO]- 233.125521 167.8
[M+CH3COO]- 247.141171 192.8
[M+Na-2H]- 209.101986 145.1
[M]+ 188.12677142 139.3
[M]- 188.12786858 139.3
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