CID 5705359

Methyl-3-(n-pyrrolidinyl)crotonate

Structural Information

Molecular Formula
C9H15NO2
SMILES
C/C(=C/C(=O)OC)/N1CCCC1
InChI
InChI=1S/C9H15NO2/c1-8(7-9(11)12-2)10-5-3-4-6-10/h7H,3-6H2,1-2H3/b8-7-
InChIKey
UTIVUPFHBDCEGI-FPLPWBNLSA-N
Compound name
methyl (Z)-3-pyrrolidin-1-ylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

169.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.1
[M+Na]+ 192.09950 148.4
[M+NH4]+ 187.14410 147.1
[M+K]+ 208.07344 145.6
[M-H]- 168.10300 139.4
[M+Na-2H]- 190.08495 142.7
[M]+ 169.10973 140.6
[M]- 169.11083 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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