CID 13126155

1h-imidazol-2-amine, 4,5-dihydro-n-(2,3,5-trimethyl-1h-pyrrol-1-yl)-, ethanedioate (1:1)

Structural Information

Molecular Formula
C10H16N4
SMILES
CC1=CC(=C(N1NC2=NCCN2)C)C
InChI
InChI=1S/C10H16N4/c1-7-6-8(2)14(9(7)3)13-10-11-4-5-12-10/h6H,4-5H2,1-3H3,(H2,11,12,13)
InChIKey
JCUCNDMQNLNEFI-UHFFFAOYSA-N
Compound name
N-(2,3,5-trimethylpyrrol-1-yl)-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 144.0
[M+Na]+ 215.12672 154.4
[M+NH4]+ 210.17132 151.2
[M+K]+ 231.10066 152.7
[M-H]- 191.13022 145.5
[M+Na-2H]- 213.11217 149.2
[M]+ 192.13695 145.6
[M]- 192.13805 145.6
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

patents stripe