CID 135471152

L-capreomycidine

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N
InChI
InChI=1S/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
InChIKey
XHNWDEHKMJLKGG-DMTCNVIQSA-N
Compound name
(2S)-2-amino-2-[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.09602 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.103296 137.6
[M+Na]+ 195.085238 142.4
[M-H]- 171.088744 134.6
[M+NH4]+ 190.129843 152.3
[M+K]+ 211.059178 140.3
[M+H-H2O]+ 155.093280 130.5
[M+HCOO]- 217.094221 154.1
[M+CH3COO]- 231.109871 178.6
[M+Na-2H]- 193.070686 139.8
[M]+ 172.09547142 128.6
[M]- 172.09656858 128.6
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.