CID 31711

1,3-dimethyl-2-phenylimidazolidine

Structural Information

Molecular Formula
C11H16N2
SMILES
CN1CCN(C1C2=CC=CC=C2)C
InChI
InChI=1S/C11H16N2/c1-12-8-9-13(2)11(12)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKey
QISTUHYRFABJSG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2-phenylimidazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

176.13135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.5
[M+Na]+ 199.12057 147.3
[M-H]- 175.12407 143.4
[M+NH4]+ 194.16517 159.0
[M+K]+ 215.09451 144.5
[M+H-H2O]+ 159.12861 131.6
[M+HCOO]- 221.12955 160.2
[M+CH3COO]- 235.14520 181.2
[M+Na-2H]- 197.10602 143.1
[M]+ 176.13080 137.2
[M]- 176.13190 137.2
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