CID 90658375

(3r)-3-methyl-l-arginine

Structural Information

Molecular Formula
C7H16N4O2
SMILES
CC(CCN=C(N)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O2/c1-4(5(8)6(12)13)2-3-11-7(9)10/h4-5H,2-3,8H2,1H3,(H,12,13)(H4,9,10,11)/t4?,5-/m0/s1
InChIKey
VRWSVIUPXSFVFZ-AKGZTFGVSA-N
Compound name
(2S)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

61
Patents

188.12732 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.134596 144.7
[M+Na]+ 211.116538 147.7
[M-H]- 187.120044 143.3
[M+NH4]+ 206.161143 161.8
[M+K]+ 227.090478 148.1
[M+H-H2O]+ 171.124580 137.9
[M+HCOO]- 233.125521 167.1
[M+CH3COO]- 247.141171 194.0
[M+Na-2H]- 209.101986 143.6
[M]+ 188.12677142 138.7
[M]- 188.12786858 138.7
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