CID 449093

Trans-zeatin

Structural Information

Molecular Formula
C10H13N5O
SMILES
C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO
InChI
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
InChIKey
UZKQTCBAMSWPJD-FARCUNLSSA-N
Compound name
(E)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

386
References

22685
Patents

219.11201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 148.5
[M+Na]+ 242.101228 157.1
[M-H]- 218.104734 145.5
[M+NH4]+ 237.145833 162.8
[M+K]+ 258.075168 152.2
[M+H-H2O]+ 202.109270 139.9
[M+HCOO]- 264.110211 167.0
[M+CH3COO]- 278.125861 185.1
[M+Na-2H]- 240.086676 155.4
[M]+ 219.11146142 147.8
[M]- 219.11255858 147.8
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