CID 107233

Methyl 2-methyl-3-(pyrrolidin-1-yl)propanoate

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC(CN1CCCC1)C(=O)OC
InChI
InChI=1S/C9H17NO2/c1-8(9(11)12-2)7-10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKey
CKYVYVAZNCMKAO-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-pyrrolidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

510
Patents

171.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 140.8
[M+Na]+ 194.115148 145.8
[M-H]- 170.118654 142.2
[M+NH4]+ 189.159753 161.3
[M+K]+ 210.089088 146.0
[M+H-H2O]+ 154.123190 134.4
[M+HCOO]- 216.124131 160.5
[M+CH3COO]- 230.139781 179.0
[M+Na-2H]- 192.100596 142.1
[M]+ 171.12538142 139.9
[M]- 171.12647858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe