CID 20675588

(1h-imidazol-4-ylmethyl)(methyl)amine

Structural Information

Molecular Formula
C5H9N3
SMILES
CNCC1=CN=CN1
InChI
InChI=1S/C5H9N3/c1-6-2-5-3-7-4-8-5/h3-4,6H,2H2,1H3,(H,7,8)
InChIKey
VYAFJWHVHCBQBJ-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

111.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 120.7
[M+Na]+ 134.068868 128.4
[M-H]- 110.072374 120.3
[M+NH4]+ 129.113473 141.5
[M+K]+ 150.042808 126.7
[M+H-H2O]+ 94.076910 113.7
[M+HCOO]- 156.077851 144.2
[M+CH3COO]- 170.093501 166.9
[M+Na-2H]- 132.054316 128.5
[M]+ 111.07910142 118.2
[M]- 111.08019858 118.2
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