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

literature stripe

Patent stripe

patents stripe