CID 54370492

1-(2-methylpentyl)pyrrolidine

Structural Information

Molecular Formula
C10H21N
SMILES
CCCC(C)CN1CCCC1
InChI
InChI=1S/C10H21N/c1-3-6-10(2)9-11-7-4-5-8-11/h10H,3-9H2,1-2H3
InChIKey
OEQVKKWEXFEXLC-UHFFFAOYSA-N
Compound name
1-(2-methylpentyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 140.2
[M+Na]+ 178.15662 144.7
[M-H]- 154.16012 141.2
[M+NH4]+ 173.20122 161.5
[M+K]+ 194.13056 143.8
[M+H-H2O]+ 138.16466 133.6
[M+HCOO]- 200.16560 159.8
[M+CH3COO]- 214.18125 178.9
[M+Na-2H]- 176.14207 142.1
[M]+ 155.16685 138.0
[M]- 155.16795 138.0
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