CID 106590

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

Structural Information

Molecular Formula
C10H17N
SMILES
C1CCC(CC1)N2CC=CC2
InChI
InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h4-5,10H,1-3,6-9H2
InChIKey
MKLOLLWXCNJJKG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

151.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 135.0
[M+Na]+ 174.12532 139.0
[M-H]- 150.12882 139.0
[M+NH4]+ 169.16992 155.9
[M+K]+ 190.09926 137.2
[M+H-H2O]+ 134.13336 127.6
[M+HCOO]- 196.13430 154.4
[M+CH3COO]- 210.14995 147.1
[M+Na-2H]- 172.11077 138.4
[M]+ 151.13555 128.1
[M]- 151.13665 128.1
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