CID 912

673-50-7

Structural Information

Molecular Formula
C6H11N3
SMILES
CNCCC1=CN=CN1
InChI
InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKey
PHSPJQZRQAJPPF-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

208
References

33510
Patents

125.0953 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.2
[M+Na]+ 148.08452 132.5
[M-H]- 124.08802 124.6
[M+NH4]+ 143.12912 145.5
[M+K]+ 164.05846 130.5
[M+H-H2O]+ 108.09256 118.0
[M+HCOO]- 170.09350 148.4
[M+CH3COO]- 184.10915 169.9
[M+Na-2H]- 146.06997 132.5
[M]+ 125.09475 123.1
[M]- 125.09585 123.1
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