CID 3046668

Perimidine, 6-amino-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=NC2=C3C(=C(C=C2)N)C=CC=C3N1
InChI
InChI=1S/C12H11N3/c1-7-14-10-4-2-3-8-9(13)5-6-11(15-7)12(8)10/h2-6H,13H2,1H3,(H,14,15)
InChIKey
FJBVLKCYHUQDHC-UHFFFAOYSA-N
Compound name
2-methyl-1H-perimidin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09529 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 143.2
[M+Na]+ 220.08451 152.8
[M-H]- 196.08801 143.9
[M+NH4]+ 215.12911 161.5
[M+K]+ 236.05845 147.2
[M+H-H2O]+ 180.09255 135.7
[M+HCOO]- 242.09349 161.4
[M+CH3COO]- 256.10914 155.2
[M+Na-2H]- 218.06996 152.5
[M]+ 197.09474 140.9
[M]- 197.09584 140.9
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.