CID 499192

Nsc664862

Structural Information

Molecular Formula
C11H15N2
SMILES
CN1CC[N+](=C1C2=CC=CC=C2)C
InChI
InChI=1S/C11H15N2/c1-12-8-9-13(2)11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/q+1
InChIKey
BAHXBSVOKSODDU-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

175.12352 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.13080 139.1
[M+Na]+ 198.11274 147.8
[M-H]- 174.11624 143.8
[M+NH4]+ 193.15734 158.5
[M+K]+ 214.08668 139.5
[M+H-H2O]+ 158.12078 134.1
[M+HCOO]- 220.12172 161.0
[M+CH3COO]- 234.13737 174.5
[M+Na-2H]- 196.09819 146.1
[M]+ 175.12297 137.1
[M]- 175.12407 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe