CID 12812565

1-cyclohexyloxy-3-guanidine-2-propanol sulfate (2:1)

Structural Information

Molecular Formula
C10H21N3O2
SMILES
C1CCC(CC1)OCC(CN=C(N)N)O
InChI
InChI=1S/C10H21N3O2/c11-10(12)13-6-8(14)7-15-9-4-2-1-3-5-9/h8-9,14H,1-7H2,(H4,11,12,13)
InChIKey
UBHYEXZKVPSHGQ-UHFFFAOYSA-N
Compound name
2-(3-cyclohexyloxy-2-hydroxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.16338 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17066 151.0
[M+Na]+ 238.15260 155.8
[M+NH4]+ 233.19720 157.2
[M+K]+ 254.12654 152.3
[M-H]- 214.15610 152.3
[M+Na-2H]- 236.13805 153.0
[M]+ 215.16283 151.2
[M]- 215.16393 151.2
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.