CID 3062700

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

Structural Information

Molecular Formula
C7H17N5O
SMILES
C1COCCN(N1)CCN=C(N)N
InChI
InChI=1S/C7H17N5O/c8-7(9)10-1-3-12-4-6-13-5-2-11-12/h11H,1-6H2,(H4,8,9,10)
InChIKey
FJQTWWJAEGOVRG-UHFFFAOYSA-N
Compound name
2-[2-(1,4,5-oxadiazepan-4-yl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.14331 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.15059 140.8
[M+Na]+ 210.13253 142.1
[M-H]- 186.13603 141.7
[M+NH4]+ 205.17713 153.5
[M+K]+ 226.10647 146.7
[M+H-H2O]+ 170.14057 130.6
[M+HCOO]- 232.14151 158.7
[M+CH3COO]- 246.15716 188.4
[M+Na-2H]- 208.11798 145.3
[M]+ 187.14276 130.4
[M]- 187.14386 130.4
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.