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

245
Patents

183.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.20598 150.0
[M+Na]+ 206.18792 153.2
[M-H]- 182.19142 149.3
[M+NH4]+ 201.23252 169.4
[M+K]+ 222.16186 150.9
[M+H-H2O]+ 166.19596 143.3
[M+HCOO]- 228.19690 167.5
[M+CH3COO]- 242.21255 182.2
[M+Na-2H]- 204.17337 150.3
[M]+ 183.19815 146.7
[M]- 183.19925 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