CID 82736

2-vinyl-2-imidazoline

Structural Information

Molecular Formula
C5H8N2
SMILES
C=CC1=NCCN1
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h2H,1,3-4H2,(H,6,7)
InChIKey
QDSPSYXUNKKWMN-UHFFFAOYSA-N
Compound name
2-ethenyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1774
Patents

96.06875 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.076026 118.3
[M+Na]+ 119.057968 126.2
[M-H]- 95.061474 117.6
[M+NH4]+ 114.102573 139.9
[M+K]+ 135.031908 124.3
[M+H-H2O]+ 79.066010 111.9
[M+HCOO]- 141.066951 139.5
[M+CH3COO]- 155.082601 161.6
[M+Na-2H]- 117.043416 124.6
[M]+ 96.06820142 114.4
[M]- 96.06929858 114.4
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