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 142.1
[M+Na]+ 214.06207 146.2
[M-H]- 190.06557 141.0
[M+NH4]+ 209.10667 160.1
[M+K]+ 230.03601 144.8
[M+H-H2O]+ 174.07011 135.4
[M+HCOO]- 236.07105 159.5
[M+CH3COO]- 250.08670 188.8
[M+Na-2H]- 212.04752 141.0
[M]+ 191.07230 140.1
[M]- 191.07340 140.1
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.