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 152.7
[M-H]- 191.13022 146.4
[M+NH4]+ 210.17132 162.7
[M+K]+ 231.10066 149.5
[M+H-H2O]+ 175.13476 136.0
[M+HCOO]- 237.13570 165.5
[M+CH3COO]- 251.15135 183.9
[M+Na-2H]- 213.11217 145.8
[M]+ 192.13695 142.0
[M]- 192.13805 142.0
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