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

25
Patents

155.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.174676 140.6
[M+Na]+ 178.156618 145.5
[M-H]- 154.160124 140.5
[M+NH4]+ 173.201223 161.5
[M+K]+ 194.130558 143.6
[M+H-H2O]+ 138.164660 135.0
[M+HCOO]- 200.165601 158.2
[M+CH3COO]- 214.181251 174.9
[M+Na-2H]- 176.142066 144.0
[M]+ 155.16685142 136.7
[M]- 155.16794858 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