CID 3047342

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

Structural Information

Molecular Formula
C10H14ClN3O2
SMILES
C1=CC=C(C(=C1)OCC(CN=C(N)N)O)Cl
InChI
InChI=1S/C10H14ClN3O2/c11-8-3-1-2-4-9(8)16-6-7(15)5-14-10(12)13/h1-4,7,15H,5-6H2,(H4,12,13,14)
InChIKey
KIEITAZJULNFPK-UHFFFAOYSA-N
Compound name
2-[3-(2-chlorophenoxy)-2-hydroxypropyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.07745 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08473 153.4
[M+Na]+ 266.06667 159.3
[M-H]- 242.07017 155.9
[M+NH4]+ 261.11127 170.2
[M+K]+ 282.04061 155.9
[M+H-H2O]+ 226.07471 147.4
[M+HCOO]- 288.07565 173.7
[M+CH3COO]- 302.09130 197.4
[M+Na-2H]- 264.05212 156.1
[M]+ 243.07690 152.7
[M]- 243.07800 152.7
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