CID 3062702

Guanidine, (2-(tetrahydro-2h-1,5-oxazocin-5(6h)-yl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C9H20N4O
SMILES
C1CN(CCCOC1)CCN=C(N)N
InChI
InChI=1S/C9H20N4O/c10-9(11)12-3-6-13-4-1-7-14-8-2-5-13/h1-8H2,(H4,10,11,12)
InChIKey
CRIAOOSVWYQSRS-UHFFFAOYSA-N
Compound name
2-[2-(1,5-oxazocan-5-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.16371 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.17099 148.0
[M+Na]+ 223.15293 151.1
[M-H]- 199.15643 149.3
[M+NH4]+ 218.19753 155.2
[M+K]+ 239.12687 152.3
[M+H-H2O]+ 183.16097 143.6
[M+HCOO]- 245.16191 157.3
[M+CH3COO]- 259.17756 226.1
[M+Na-2H]- 221.13838 148.5
[M]+ 200.16316 145.2
[M]- 200.16426 145.2
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.