CID 21973641

473927-72-9

Structural Information

Molecular Formula
C5H9N3
SMILES
CNCC1=NC=CN1
InChI
InChI=1S/C5H9N3/c1-6-4-5-7-2-3-8-5/h2-3,6H,4H2,1H3,(H,7,8)
InChIKey
FXNGQGIWLUWGBV-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

111.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 121.0
[M+Na]+ 134.06887 131.4
[M+NH4]+ 129.11347 129.0
[M+K]+ 150.04281 127.8
[M-H]- 110.07237 121.5
[M+Na-2H]- 132.05432 127.1
[M]+ 111.07910 122.3
[M]- 111.08020 122.3
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