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 150.3
[M+Na]+ 238.15260 151.3
[M-H]- 214.15610 151.3
[M+NH4]+ 233.19720 166.6
[M+K]+ 254.12654 150.5
[M+H-H2O]+ 198.16064 143.0
[M+HCOO]- 260.16158 170.5
[M+CH3COO]- 274.17723 193.7
[M+Na-2H]- 236.13805 151.3
[M]+ 215.16283 142.7
[M]- 215.16393 142.7
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

No patent data available for this compound.