CID 142984

Pro-val

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC(C)C(C(=O)O)NC(=O)C1CCCN1
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKey
AWJGUZSYVIVZGP-UHFFFAOYSA-N
Compound name
3-methyl-2-(pyrrolidine-2-carbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

3686
Patents

214.13174 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.13902 151.1
[M+Na]+ 237.12096 155.5
[M+NH4]+ 232.16556 155.7
[M+K]+ 253.09490 155.8
[M-H]- 213.12446 148.4
[M+Na-2H]- 235.10641 150.7
[M]+ 214.13119 150.1
[M]- 214.13229 150.1
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