CID 135471152

(2s,3r)-capreomycidine(1+)

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]+ 173.10330 136.0
[M+Na]+ 195.08524 142.7
[M+NH4]+ 190.12984 141.1
[M+K]+ 211.05918 141.0
[M-H]- 171.08874 134.7
[M+Na-2H]- 193.07069 138.0
[M]+ 172.09547 135.8
[M]- 172.09657 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.