CID 222552

1-(1,3-benzoxazol-2-yl)guanidine

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

133
Patents

176.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 132.9
[M+Na]+ 199.059028 142.1
[M-H]- 175.062534 138.2
[M+NH4]+ 194.103633 152.7
[M+K]+ 215.032968 140.9
[M+H-H2O]+ 159.067070 125.7
[M+HCOO]- 221.068011 160.5
[M+CH3COO]- 235.083661 186.7
[M+Na-2H]- 197.044476 142.0
[M]+ 176.06926142 132.8
[M]- 176.07035858 132.8
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