CID 101079546

N-amidino-l-leucine

Structural Information

Molecular Formula
C7H15N3O2
SMILES
CC(C)C[C@@H](C(=O)O)N=C(N)N
InChI
InChI=1S/C7H15N3O2/c1-4(2)3-5(6(11)12)10-7(8)9/h4-5H,3H2,1-2H3,(H,11,12)(H4,8,9,10)/t5-/m0/s1
InChIKey
JKUOGDHAQDYLBO-YFKPBYRVSA-N
Compound name
(2S)-2-(diaminomethylideneamino)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12370 141.5
[M+Na]+ 196.10564 145.4
[M-H]- 172.10914 140.7
[M+NH4]+ 191.15024 159.9
[M+K]+ 212.07958 145.9
[M+H-H2O]+ 156.11368 135.4
[M+HCOO]- 218.11462 163.6
[M+CH3COO]- 232.13027 189.0
[M+Na-2H]- 194.09109 141.2
[M]+ 173.11587 137.3
[M]- 173.11697 137.3
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