CID 13923

Guanoxyfen

Structural Information

Molecular Formula
C10H15N3O
SMILES
C1=CC=C(C=C1)OCCCN=C(N)N
InChI
InChI=1S/C10H15N3O/c11-10(12)13-7-4-8-14-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,11,12,13)
InChIKey
UEIBTMGAIXZRBV-UHFFFAOYSA-N
Compound name
2-(3-phenoxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

354
Patents

193.1215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 142.4
[M+Na]+ 216.110718 147.3
[M-H]- 192.114224 146.0
[M+NH4]+ 211.155323 160.9
[M+K]+ 232.084658 145.6
[M+H-H2O]+ 176.118760 135.0
[M+HCOO]- 238.119701 169.4
[M+CH3COO]- 252.135351 191.8
[M+Na-2H]- 214.096166 148.1
[M]+ 193.12095142 140.3
[M]- 193.12204858 140.3
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