CID 13016706

79681-02-0

Structural Information

Molecular Formula
C4H7N3
SMILES
CC1=C(N=CN1)N
InChI
InChI=1S/C4H7N3/c1-3-4(5)7-2-6-3/h2H,5H2,1H3,(H,6,7)
InChIKey
XVZKKIYWHYCKLD-UHFFFAOYSA-N
Compound name
5-methyl-1H-imidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

97.063995 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.071271 116.6
[M+Na]+ 120.05321 125.8
[M-H]- 96.056719 116.3
[M+NH4]+ 115.09782 138.1
[M+K]+ 136.02715 123.9
[M+H-H2O]+ 80.061255 110.3
[M+HCOO]- 142.06220 139.8
[M+CH3COO]- 156.07785 164.3
[M+Na-2H]- 118.03866 123.2
[M]+ 97.063446 113.1
[M]- 97.064544 113.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe