CID 472065

1-cyclohexyl-2,5-dimethyl-1h-pyrrole

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC=C(N1C2CCCCC2)C
InChI
InChI=1S/C12H19N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h8-9,12H,3-7H2,1-2H3
InChIKey
HTMSMLRWXSENLO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,5-dimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

177.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.3
[M+Na]+ 200.14097 147.6
[M-H]- 176.14447 146.2
[M+NH4]+ 195.18557 162.1
[M+K]+ 216.11491 145.0
[M+H-H2O]+ 160.14901 134.4
[M+HCOO]- 222.14995 161.6
[M+CH3COO]- 236.16560 181.9
[M+Na-2H]- 198.12642 143.5
[M]+ 177.15120 137.5
[M]- 177.15230 137.5
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