CID 59148051

3-(3,3-dimethylbutyl)pyrrolidine

Structural Information

Molecular Formula
C10H21N
SMILES
CC(C)(C)CCC1CCNC1
InChI
InChI=1S/C10H21N/c1-10(2,3)6-4-9-5-7-11-8-9/h9,11H,4-8H2,1-3H3
InChIKey
YJSDWAOTDLOQOX-UHFFFAOYSA-N
Compound name
3-(3,3-dimethylbutyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

155.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.17468 140.6
[M+Na]+ 178.15662 145.5
[M-H]- 154.16012 140.5
[M+NH4]+ 173.20122 161.5
[M+K]+ 194.13056 143.6
[M+H-H2O]+ 138.16466 135.0
[M+HCOO]- 200.16560 158.2
[M+CH3COO]- 214.18125 174.9
[M+Na-2H]- 176.14207 144.0
[M]+ 155.16685 136.7
[M]- 155.16795 136.7
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