CID 9579086

(5e)-2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde oxime

Structural Information

Molecular Formula
C11H17N5O2
SMILES
C1CC(C1)(CNC2=NC(=NC=C2/C=N/O)N)CO
InChI
InChI=1S/C11H17N5O2/c12-10-13-4-8(5-15-18)9(16-10)14-6-11(7-17)2-1-3-11/h4-5,17-18H,1-3,6-7H2,(H3,12,13,14,16)/b15-5+
InChIKey
DVOUEKTVRMURPH-PJQLUOCWSA-N
Compound name
[1-[[[2-amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.13823 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14551 160.3
[M+Na]+ 274.12745 164.3
[M-H]- 250.13095 162.2
[M+NH4]+ 269.17205 168.1
[M+K]+ 290.10139 164.6
[M+H-H2O]+ 234.13549 145.9
[M+HCOO]- 296.13643 180.8
[M+CH3COO]- 310.15208 200.5
[M+Na-2H]- 272.11290 165.7
[M]+ 251.13768 165.5
[M]- 251.13878 165.5
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

No patent data available for this compound.