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 139.7
[M+Na]+ 192.09950 145.1
[M-H]- 168.10300 141.2
[M+NH4]+ 187.14410 160.3
[M+K]+ 208.07344 144.6
[M+H-H2O]+ 152.10754 133.5
[M+HCOO]- 214.10848 159.6
[M+CH3COO]- 228.12413 177.4
[M+Na-2H]- 190.08495 141.1
[M]+ 169.10973 138.0
[M]- 169.11083 138.0
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