CID 3044985

Brn 0885064

Structural Information

Molecular Formula
C14H17N3
SMILES
CC1=CN=C(N1C2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C14H17N3/c1-12-11-15-14(16-9-5-6-10-16)17(12)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKey
INFKGYSXELZALS-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-2-pyrrolidin-1-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.14224 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.149516 152.0
[M+Na]+ 250.131458 159.6
[M-H]- 226.134964 157.9
[M+NH4]+ 245.176063 169.2
[M+K]+ 266.105398 155.7
[M+H-H2O]+ 210.139500 142.3
[M+HCOO]- 272.140441 172.5
[M+CH3COO]- 286.156091 164.0
[M+Na-2H]- 248.116906 153.1
[M]+ 227.14169142 149.6
[M]- 227.14278858 149.6
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