CID 558375

4-methyleneproline

Structural Information

Molecular Formula
C6H9NO2
SMILES
C=C1CC(NC1)C(=O)O
InChI
InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h5,7H,1-3H2,(H,8,9)
InChIKey
PEYQZZMUNYLHII-UHFFFAOYSA-N
Compound name
4-methylidenepyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

151
Patents

127.06333 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 127.1
[M+Na]+ 150.05255 135.5
[M+NH4]+ 145.09715 133.9
[M+K]+ 166.02649 133.5
[M-H]- 126.05605 125.6
[M+Na-2H]- 148.03800 129.3
[M]+ 127.06278 127.3
[M]- 127.06388 127.3
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