CID 880072

1-cyclohexyl-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=CC(=C(N1C2CCCCC2)C)C=O
InChI
InChI=1S/C13H19NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h8-9,13H,3-7H2,1-2H3
InChIKey
HRRUKGPVBSKOJH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

205.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.6
[M+Na]+ 228.135888 154.6
[M-H]- 204.139394 152.7
[M+NH4]+ 223.180493 167.4
[M+K]+ 244.109828 151.6
[M+H-H2O]+ 188.143930 140.7
[M+HCOO]- 250.144871 167.9
[M+CH3COO]- 264.160521 187.2
[M+Na-2H]- 226.121336 148.6
[M]+ 205.14612142 145.2
[M]- 205.14721858 145.2
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