CID 29709

3-(p-hydroxy-benzoyloxy)propylguanidine hydrochloride

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1=CC(=CC=C1C(=O)OCCCN=C(N)N)O
InChI
InChI=1S/C11H15N3O3/c12-11(13)14-6-1-7-17-10(16)8-2-4-9(15)5-3-8/h2-5,15H,1,6-7H2,(H4,12,13,14)
InChIKey
XFDLRECYTLJZBW-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)propyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 152.9
[M+Na]+ 260.10056 157.7
[M-H]- 236.10406 155.3
[M+NH4]+ 255.14516 168.8
[M+K]+ 276.07450 156.1
[M+H-H2O]+ 220.10860 145.3
[M+HCOO]- 282.10954 177.6
[M+CH3COO]- 296.12519 197.5
[M+Na-2H]- 258.08601 155.6
[M]+ 237.11079 150.9
[M]- 237.11189 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe