CID 12812566

1-cycloheptyloxy-3-guanidino-2-propanol sulfate (2:1)

Structural Information

Molecular Formula
C11H23N3O2
SMILES
C1CCCC(CC1)OCC(CN=C(N)N)O
InChI
InChI=1S/C11H23N3O2/c12-11(13)14-7-9(15)8-16-10-5-3-1-2-4-6-10/h9-10,15H,1-8H2,(H4,12,13,14)
InChIKey
IKHHNOILVHJRRO-UHFFFAOYSA-N
Compound name
2-(3-cycloheptyloxy-2-hydroxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.17903 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.18631 151.0
[M+Na]+ 252.16825 149.9
[M-H]- 228.17175 153.2
[M+NH4]+ 247.21285 165.6
[M+K]+ 268.14219 154.5
[M+H-H2O]+ 212.17629 143.5
[M+HCOO]- 274.17723 170.2
[M+CH3COO]- 288.19288 197.5
[M+Na-2H]- 250.15370 151.4
[M]+ 229.17848 141.0
[M]- 229.17958 141.0
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.