CID 42253407

N-amidino-l-methionine

Structural Information

Molecular Formula
C6H13N3O2S
SMILES
CSCC[C@@H](C(=O)O)N=C(N)N
InChI
InChI=1S/C6H13N3O2S/c1-12-3-2-4(5(10)11)9-6(7)8/h4H,2-3H2,1H3,(H,10,11)(H4,7,8,9)/t4-/m0/s1
InChIKey
AMGKMORUFLDVFC-BYPYZUCNSA-N
Compound name
(2S)-2-(diaminomethylideneamino)-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

191.07285 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08013 142.4
[M+Na]+ 214.06207 146.7
[M+NH4]+ 209.10667 147.9
[M+K]+ 230.03601 142.9
[M-H]- 190.06557 141.1
[M+Na-2H]- 212.04752 142.5
[M]+ 191.07230 142.3
[M]- 191.07340 142.3
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

No patent data available for this compound.