CID 3621644

1-(4-methoxyphenyl)guanidine carbonate

Structural Information

Molecular Formula
C8H11N3O
SMILES
COC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C8H11N3O/c1-12-7-4-2-6(3-5-7)11-8(9)10/h2-5H,1H3,(H4,9,10,11)
InChIKey
VGFALHATLLBXIT-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

238
Patents

165.09021 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.097486 133.8
[M+Na]+ 188.079428 140.5
[M-H]- 164.082934 138.2
[M+NH4]+ 183.124033 153.7
[M+K]+ 204.053368 139.3
[M+H-H2O]+ 148.087470 127.0
[M+HCOO]- 210.088411 161.4
[M+CH3COO]- 224.104061 186.9
[M+Na-2H]- 186.064876 139.7
[M]+ 165.08966142 131.3
[M]- 165.09075858 131.3
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