CID 32021

(+-)-dihydrozeatin

Structural Information

Molecular Formula
C10H15N5O
SMILES
CC(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)
InChIKey
XXFACTAYGKKOQB-UHFFFAOYSA-N
Compound name
2-methyl-4-(7H-purin-6-ylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

1102
Patents

221.12766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 148.8
[M+Na]+ 244.11688 157.1
[M-H]- 220.12038 145.8
[M+NH4]+ 239.16148 163.0
[M+K]+ 260.09082 152.7
[M+H-H2O]+ 204.12492 140.1
[M+HCOO]- 266.12586 167.1
[M+CH3COO]- 280.14151 186.5
[M+Na-2H]- 242.10233 155.8
[M]+ 221.12711 148.9
[M]- 221.12821 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.