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

22525
Patents

219.11201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11929 148.5
[M+Na]+ 242.10123 157.1
[M-H]- 218.10473 145.5
[M+NH4]+ 237.14583 162.8
[M+K]+ 258.07517 152.2
[M+H-H2O]+ 202.10927 139.9
[M+HCOO]- 264.11021 167.0
[M+CH3COO]- 278.12586 185.1
[M+Na-2H]- 240.08668 155.4
[M]+ 219.11146 147.8
[M]- 219.11256 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.