CID 22627827

2-(2-ethylhexyl)pyrrolidine

Structural Information

Molecular Formula
C12H25N
SMILES
CCCCC(CC)CC1CCCN1
InChI
InChI=1S/C12H25N/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h11-13H,3-10H2,1-2H3
InChIKey
VKIDPFUHXWSYIO-UHFFFAOYSA-N
Compound name
2-(2-ethylhexyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

183.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.205976 150.0
[M+Na]+ 206.187918 153.2
[M-H]- 182.191424 149.3
[M+NH4]+ 201.232523 169.4
[M+K]+ 222.161858 150.9
[M+H-H2O]+ 166.195960 143.3
[M+HCOO]- 228.196901 167.5
[M+CH3COO]- 242.212551 182.2
[M+Na-2H]- 204.173366 150.3
[M]+ 183.19815142 146.7
[M]- 183.19924858 146.7
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