CID 12812567

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

Structural Information

Molecular Formula
C12H25N3O2
SMILES
C1CCCC(CCC1)OCC(CN=C(N)N)O
InChI
InChI=1S/C12H25N3O2/c13-12(14)15-8-10(16)9-17-11-6-4-2-1-3-5-7-11/h10-11,16H,1-9H2,(H4,13,14,15)
InChIKey
VTPRVZWNJYCNJZ-UHFFFAOYSA-N
Compound name
2-(3-cyclooctyloxy-2-hydroxypropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 154.3
[M+Na]+ 266.18389 156.4
[M-H]- 242.18739 155.1
[M+NH4]+ 261.22849 161.4
[M+K]+ 282.15783 157.1
[M+H-H2O]+ 226.19193 150.1
[M+HCOO]- 288.19287 163.0
[M+CH3COO]- 302.20852 229.2
[M+Na-2H]- 264.16934 152.8
[M]+ 243.19412 150.9
[M]- 243.19522 150.9
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.