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

4
Patents

185.14159 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 145.2
[M+Na]+ 208.13081 150.2
[M-H]- 184.13431 145.4
[M+NH4]+ 203.17541 164.6
[M+K]+ 224.10475 149.1
[M+H-H2O]+ 168.13885 139.2
[M+HCOO]- 230.13979 163.0
[M+CH3COO]- 244.15544 181.2
[M+Na-2H]- 206.11626 144.8
[M]+ 185.14104 143.1
[M]- 185.14214 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