CID 222552

N-1,3-benzoxazol-2-ylguanidine

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C2C(=C1)N=C(O2)N=C(N)N
InChI
InChI=1S/C8H8N4O/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChIKey
FNGZREDJXWXRBW-UHFFFAOYSA-N
Compound name
2-(1,3-benzoxazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

144
Patents

176.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 134.3
[M+Na]+ 199.05903 145.1
[M+NH4]+ 194.10363 142.2
[M+K]+ 215.03297 142.2
[M-H]- 175.06253 138.5
[M+Na-2H]- 197.04448 140.3
[M]+ 176.06926 136.7
[M]- 176.07036 136.7
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