CID 62975959

1909358-90-2

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1CC/C(=C\C(=O)O)/C1
InChI
InChI=1S/C7H11NO2/c1-8-3-2-6(5-8)4-7(9)10/h4H,2-3,5H2,1H3,(H,9,10)/b6-4+
InChIKey
VKPXWZSTIPJRNN-GQCTYLIASA-N
Compound name
(2E)-2-(1-methylpyrrolidin-3-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 130.1
[M+Na]+ 164.068198 137.0
[M-H]- 140.071704 130.8
[M+NH4]+ 159.112803 151.4
[M+K]+ 180.042138 135.6
[M+H-H2O]+ 124.076240 124.6
[M+HCOO]- 186.077181 150.1
[M+CH3COO]- 200.092831 169.6
[M+Na-2H]- 162.053646 132.6
[M]+ 141.07843142 126.8
[M]- 141.07952858 126.8
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

No patent data available for this compound.