CID 131560848

2402837-41-4

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC1(CC(CN1)CC(=O)OC)C
InChI
InChI=1S/C9H17NO2/c1-9(2)5-7(6-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKey
WOESJWFDJOTIPM-UHFFFAOYSA-N
Compound name
methyl 2-(5,5-dimethylpyrrolidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.1
[M+Na]+ 194.11515 145.8
[M-H]- 170.11865 139.8
[M+NH4]+ 189.15975 161.3
[M+K]+ 210.08909 144.7
[M+H-H2O]+ 154.12319 134.2
[M+HCOO]- 216.12413 158.3
[M+CH3COO]- 230.13978 176.1
[M+Na-2H]- 192.10060 141.8
[M]+ 171.12538 137.6
[M]- 171.12648 137.6
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

No patent data available for this compound.