CID 48879

67026-73-7

Structural Information

Molecular Formula
C11H18N4O
SMILES
CCC(C)(C)N=C(NC1=CN=CC=C1)NO
InChI
InChI=1S/C11H18N4O/c1-4-11(2,3)14-10(15-16)13-9-6-5-7-12-8-9/h5-8,16H,4H2,1-3H3,(H2,13,14,15)
InChIKey
HOAATCVKKYCUEQ-UHFFFAOYSA-N
Compound name
1-hydroxy-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.14806 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 151.9
[M+Na]+ 245.13728 156.5
[M-H]- 221.14078 154.0
[M+NH4]+ 240.18188 168.0
[M+K]+ 261.11122 154.8
[M+H-H2O]+ 205.14532 144.3
[M+HCOO]- 267.14626 175.5
[M+CH3COO]- 281.16191 195.2
[M+Na-2H]- 243.12273 159.6
[M]+ 222.14751 150.1
[M]- 222.14861 150.1
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.