CID 10488533

115689-67-3

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CC2(CC3=CN=C(N=C31)N)OCCO2
InChI
InChI=1S/C10H13N3O2/c11-9-12-6-7-5-10(14-3-4-15-10)2-1-8(7)13-9/h6H,1-5H2,(H2,11,12,13)
InChIKey
BVIOGMVHOVSZEI-UHFFFAOYSA-N
Compound name
spiro[1,3-dioxolane-2,6'-7,8-dihydro-5H-quinazoline]-2'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 142.6
[M+Na]+ 230.08999 150.2
[M-H]- 206.09349 147.0
[M+NH4]+ 225.13459 160.5
[M+K]+ 246.06393 149.6
[M+H-H2O]+ 190.09803 134.9
[M+HCOO]- 252.09897 159.4
[M+CH3COO]- 266.11462 154.8
[M+Na-2H]- 228.07544 150.6
[M]+ 207.10022 139.1
[M]- 207.10132 139.1
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.