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

1
Patents

192.1375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.144776 144.0
[M+Na]+ 215.126718 152.7
[M-H]- 191.130224 146.4
[M+NH4]+ 210.171323 162.7
[M+K]+ 231.100658 149.5
[M+H-H2O]+ 175.134760 136.0
[M+HCOO]- 237.135701 165.5
[M+CH3COO]- 251.151351 183.9
[M+Na-2H]- 213.112166 145.8
[M]+ 192.13695142 142.0
[M]- 192.13804858 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