CID 439631

Dihydrozeatin

Structural Information

Molecular Formula
C10H15N5O
SMILES
C[C@@H](CCNC1=NC=NC2=C1NC=N2)CO
InChI
InChI=1S/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)/t7-/m0/s1
InChIKey
XXFACTAYGKKOQB-ZETCQYMHSA-N
Compound name
(2S)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1115
Patents

221.12766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.134936 148.8
[M+Na]+ 244.116878 157.1
[M-H]- 220.120384 145.8
[M+NH4]+ 239.161483 163.0
[M+K]+ 260.090818 152.7
[M+H-H2O]+ 204.124920 140.1
[M+HCOO]- 266.125861 167.1
[M+CH3COO]- 280.141511 186.5
[M+Na-2H]- 242.102326 155.8
[M]+ 221.12711142 148.9
[M]- 221.12820858 148.9
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.