CID 159158

87786-05-8

Structural Information

Molecular Formula
C6H11N3
SMILES
CN1C=CN=C1CCN
InChI
InChI=1S/C6H11N3/c1-9-5-4-8-6(9)2-3-7/h4-5H,2-3,7H2,1H3
InChIKey
XCKQBMQJPNDJLD-UHFFFAOYSA-N
Compound name
2-(1-methylimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

125.0953 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 124.9
[M+Na]+ 148.08452 133.6
[M-H]- 124.08802 125.7
[M+NH4]+ 143.12912 146.0
[M+K]+ 164.05846 132.2
[M+H-H2O]+ 108.09256 117.9
[M+HCOO]- 170.09350 149.0
[M+CH3COO]- 184.10915 173.0
[M+Na-2H]- 146.06997 131.0
[M]+ 125.09475 124.1
[M]- 125.09585 124.1
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