CID 3041557

4'-deoxyneamine

Structural Information

Molecular Formula
C12H26N4O5
SMILES
C1C(OC(C(C1O)N)OC2C(CC(C(C2O)O)N)N)CN
InChI
InChI=1S/C12H26N4O5/c13-3-4-1-7(17)8(16)12(20-4)21-11-6(15)2-5(14)9(18)10(11)19/h4-12,17-19H,1-3,13-16H2
InChIKey
NOBINJIDZDKGAE-UHFFFAOYSA-N
Compound name
4,6-diamino-3-[3-amino-6-(aminomethyl)-4-hydroxyoxan-2-yl]oxycyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

306.1903 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19758 173.3
[M+Na]+ 329.17952 176.1
[M-H]- 305.18302 174.4
[M+NH4]+ 324.22412 183.0
[M+K]+ 345.15346 174.5
[M+H-H2O]+ 289.18756 165.8
[M+HCOO]- 351.18850 186.3
[M+CH3COO]- 365.20415 212.3
[M+Na-2H]- 327.16497 168.8
[M]+ 306.18975 162.0
[M]- 306.19085 162.0
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

patents stripe