CID 16769128

1-(3-methylbutyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H19NO2
SMILES
CC(C)CCN1CCCC1C(=O)O
InChI
InChI=1S/C10H19NO2/c1-8(2)5-7-11-6-3-4-9(11)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKey
YBGMBOVYIQBCBS-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

185.14159 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 145.2
[M+Na]+ 208.130808 150.2
[M-H]- 184.134314 145.4
[M+NH4]+ 203.175413 164.6
[M+K]+ 224.104748 149.1
[M+H-H2O]+ 168.138850 139.2
[M+HCOO]- 230.139791 163.0
[M+CH3COO]- 244.155441 181.2
[M+Na-2H]- 206.116256 144.8
[M]+ 185.14104142 143.1
[M]- 185.14213858 143.1
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