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]+ 216.170656 150.3
[M+Na]+ 238.152598 151.3
[M-H]- 214.156104 151.3
[M+NH4]+ 233.197203 166.6
[M+K]+ 254.126538 150.5
[M+H-H2O]+ 198.160640 143.0
[M+HCOO]- 260.161581 170.5
[M+CH3COO]- 274.177231 193.7
[M+Na-2H]- 236.138046 151.3
[M]+ 215.16283142 142.7
[M]- 215.16392858 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.