CID 29701

2-benzoyloxy-ethylguanidine nitrate

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1=CC=C(C=C1)C(=O)OCCN=C(N)N
InChI
InChI=1S/C10H13N3O2/c11-10(12)13-6-7-15-9(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H4,11,12,13)
InChIKey
KQCCRJPQATYJRD-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

207.10077 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.5
[M+Na]+ 230.08999 150.3
[M-H]- 206.09349 149.2
[M+NH4]+ 225.13459 163.2
[M+K]+ 246.06393 149.2
[M+H-H2O]+ 190.09803 137.9
[M+HCOO]- 252.09897 171.9
[M+CH3COO]- 266.11462 193.3
[M+Na-2H]- 228.07544 149.9
[M]+ 207.10022 143.3
[M]- 207.10132 143.3
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

patents stripe