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]+ 230.186306 151.0
[M+Na]+ 252.168248 149.9
[M-H]- 228.171754 153.2
[M+NH4]+ 247.212853 165.6
[M+K]+ 268.142188 154.5
[M+H-H2O]+ 212.176290 143.5
[M+HCOO]- 274.177231 170.2
[M+CH3COO]- 288.192881 197.5
[M+Na-2H]- 250.153696 151.4
[M]+ 229.17848142 141.0
[M]- 229.17957858 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.