CID 54009307

N-amidino-l-valine

Structural Information

Molecular Formula
C6H13N3O2
SMILES
CC(C)[C@@H](C(=O)O)N=C(N)N
InChI
InChI=1S/C6H13N3O2/c1-3(2)4(5(10)11)9-6(7)8/h3-4H,1-2H3,(H,10,11)(H4,7,8,9)/t4-/m0/s1
InChIKey
KRDSZDZVHLBUMZ-BYPYZUCNSA-N
Compound name
(2S)-2-(diaminomethylideneamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.10077 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.10805 136.4
[M+Na]+ 182.08999 141.2
[M+NH4]+ 177.13459 141.6
[M+K]+ 198.06393 140.1
[M-H]- 158.09349 134.9
[M+Na-2H]- 180.07544 136.8
[M]+ 159.10022 135.8
[M]- 159.10132 135.8
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