CID 3530563

Schembl3312260

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

CC1C2CCC(N2C(=NC1=O)N)(C)C=C

InChI

InChI=1S/C11H17N3O/c1-4-11(3)6-5-8-7(2)9(15)13-10(12)14(8)11/h4,7-8H,1,5-6H2,2-3H3,(H2,12,13,15)

InChIKey

JICZMZVYTMAXGX-UHFFFAOYSA-N

Compound name

1-amino-7-ethenyl-4,7-dimethyl-4,4a,5,6-tetrahydropyrrolo[1,2-c]pyrimidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.13716 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.14444	147.8
[M+Na]+	230.12638	157.7
[M+NH4]+	225.17098	156.5
[M+K]+	246.10032	152.1
[M-H]-	206.12988	148.3
[M+Na-2H]-	228.11183	151.2
[M]+	207.13661	149.2
[M]-	207.13771	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe