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 137.6
[M+Na]+ 195.08524 142.4
[M-H]- 171.08874 134.6
[M+NH4]+ 190.12984 152.3
[M+K]+ 211.05918 140.3
[M+H-H2O]+ 155.09328 130.5
[M+HCOO]- 217.09422 154.1
[M+CH3COO]- 231.10987 178.6
[M+Na-2H]- 193.07069 139.8
[M]+ 172.09547 128.6
[M]- 172.09657 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.