CID 5232593

14489-15-7

Structural Information

Molecular Formula
C3H6N2
SMILES
C1NC=CN1
InChI
InChI=1S/C3H6N2/c1-2-5-3-4-1/h1-2,4-5H,3H2
InChIKey
LWTIGYSPAXKMDG-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

18819
Patents

70.0531 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.060376 111.3
[M+Na]+ 93.042318 118.3
[M-H]- 69.045824 109.1
[M+NH4]+ 88.086923 133.0
[M+K]+ 109.016258 116.7
[M+H-H2O]+ 53.050360 105.1
[M+HCOO]- 115.051301 131.4
[M+CH3COO]- 129.066951 152.7
[M+Na-2H]- 91.027766 118.9
[M]+ 70.05255142 105.1
[M]- 70.05364858 105.1
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