CID 3047340

(+-)-(3-(4-bromophenoxy)-2-hydroxypropyl)guanidine sulfate (2:1) (salt)

Structural Information

Molecular Formula
C10H14BrN3O2
SMILES
C1=CC(=CC=C1OCC(CN=C(N)N)O)Br
InChI
InChI=1S/C10H14BrN3O2/c11-7-1-3-9(4-2-7)16-6-8(15)5-14-10(12)13/h1-4,8,15H,5-6H2,(H4,12,13,14)
InChIKey
MXZKAHCKWLFBLR-UHFFFAOYSA-N
Compound name
2-[3-(4-bromophenoxy)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02695 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03423 156.3
[M+Na]+ 310.01617 163.8
[M-H]- 286.01967 160.8
[M+NH4]+ 305.06077 173.6
[M+K]+ 325.99011 152.3
[M+H-H2O]+ 270.02421 153.2
[M+HCOO]- 332.02515 177.8
[M+CH3COO]- 346.04080 202.8
[M+Na-2H]- 308.00162 160.1
[M]+ 287.02640 171.5
[M]- 287.02750 171.5
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

No patent data available for this compound.