CID 3062704

Guanidine, (2-(tetrahydro-1,4-oxazepin-4(5h)-yl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C8H18N4O
SMILES
C1CN(CCOC1)CCN=C(N)N
InChI
InChI=1S/C8H18N4O/c9-8(10)11-2-4-12-3-1-6-13-7-5-12/h1-7H2,(H4,9,10,11)
InChIKey
VDWBOYJJSYNAEB-UHFFFAOYSA-N
Compound name
2-[2-(1,4-oxazepan-4-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.14806 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.15534 140.3
[M+Na]+ 209.13728 141.4
[M-H]- 185.14078 143.6
[M+NH4]+ 204.18188 155.0
[M+K]+ 225.11122 146.6
[M+H-H2O]+ 169.14532 131.4
[M+HCOO]- 231.14626 160.5
[M+CH3COO]- 245.16191 190.9
[M+Na-2H]- 207.12273 144.7
[M]+ 186.14751 131.4
[M]- 186.14861 131.4
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.