CID 2740698

1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)C(=O)N1CCCC1C(=O)O
InChI
InChI=1S/C10H17NO3/c1-10(2,3)9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
PKLZSYAHHJSOFE-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

22
Patents

199.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.9
[M+Na]+ 222.110068 151.8
[M-H]- 198.113574 146.6
[M+NH4]+ 217.154673 165.0
[M+K]+ 238.084008 151.1
[M+H-H2O]+ 182.118110 140.9
[M+HCOO]- 244.119051 162.7
[M+CH3COO]- 258.134701 181.3
[M+Na-2H]- 220.095516 146.8
[M]+ 199.12030142 144.1
[M]- 199.12139858 144.1
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