CID 131135114

1-propyl-1h,4h,6h,7h-pyrano[3,4-d]imidazol-2-amine hydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
CCCN1C2=C(COCC2)N=C1N
InChI
InChI=1S/C9H15N3O/c1-2-4-12-8-3-5-13-6-7(8)11-9(12)10/h2-6H2,1H3,(H2,10,11)
InChIKey
KIJUVFXYFIUKHM-UHFFFAOYSA-N
Compound name
1-propyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1215 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.9
[M+Na]+ 204.11072 147.8
[M-H]- 180.11422 141.7
[M+NH4]+ 199.15532 158.6
[M+K]+ 220.08466 146.4
[M+H-H2O]+ 164.11876 132.7
[M+HCOO]- 226.11970 159.3
[M+CH3COO]- 240.13535 183.2
[M+Na-2H]- 202.09617 145.3
[M]+ 181.12095 138.6
[M]- 181.12205 138.6
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.