CID 137459617

2400937-90-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CN1CCCC1/C=C/C(=O)O
InChI
InChI=1S/C8H13NO2/c1-9-6-2-3-7(9)4-5-8(10)11/h4-5,7H,2-3,6H2,1H3,(H,10,11)/b5-4+
InChIKey
KKGNNTRMDRNYDJ-SNAWJCMRSA-N
Compound name
(E)-3-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

155.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 134.7
[M+Na]+ 178.083858 141.2
[M-H]- 154.087364 135.2
[M+NH4]+ 173.128463 155.4
[M+K]+ 194.057798 139.6
[M+H-H2O]+ 138.091900 129.0
[M+HCOO]- 200.092841 154.4
[M+CH3COO]- 214.108491 172.7
[M+Na-2H]- 176.069306 136.7
[M]+ 155.09409142 131.8
[M]- 155.09518858 131.8
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