CID 79005007

948915-62-6

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CC2C(=O)N=C(N2C1)N
InChI
InChI=1S/C6H9N3O/c7-6-8-5(10)4-2-1-3-9(4)6/h4H,1-3H2,(H2,7,8,10)
InChIKey
ZAVANOZVUHPQEM-UHFFFAOYSA-N
Compound name
3-amino-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 126.8
[M+Na]+ 162.06377 135.9
[M-H]- 138.06727 128.6
[M+NH4]+ 157.10837 150.0
[M+K]+ 178.03771 134.3
[M+H-H2O]+ 122.07181 120.5
[M+HCOO]- 184.07275 149.1
[M+CH3COO]- 198.08840 173.8
[M+Na-2H]- 160.04922 130.6
[M]+ 139.07400 123.9
[M]- 139.07510 123.9
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.