CID 131751042

[1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1h-pyrrolizin-2-yl] (z)-2-methylbut-2-enoate

Structural Information

Molecular Formula
C13H21NO3
SMILES
C/C=C(/C)\C(=O)OC1CN2CCCC2C1CO
InChI
InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-
InChIKey
HQARVRYBUBTANR-OQFOIZHKSA-N
Compound name
[1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 160.0
[M+Na]+ 262.14137 165.1
[M-H]- 238.14487 161.1
[M+NH4]+ 257.18597 180.2
[M+K]+ 278.11531 162.9
[M+H-H2O]+ 222.14941 154.6
[M+HCOO]- 284.15035 176.3
[M+CH3COO]- 298.16600 189.4
[M+Na-2H]- 260.12682 157.1
[M]+ 239.15160 158.1
[M]- 239.15270 158.1
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.