CID 427386

Nsc211505

Structural Information

Molecular Formula
C11H20NO2
SMILES
CCC[N+]12CCC(C1C(=CC2)CO)O
InChI
InChI=1S/C11H20NO2/c1-2-5-12-6-3-9(8-13)11(12)10(14)4-7-12/h3,10-11,13-14H,2,4-8H2,1H3/q+1
InChIKey
IDEHUPSJHYFKDQ-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-4-propyl-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.1494 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15668 145.5
[M+Na]+ 221.13862 152.9
[M-H]- 197.14212 146.2
[M+NH4]+ 216.18322 168.9
[M+K]+ 237.11256 144.2
[M+H-H2O]+ 181.14666 143.8
[M+HCOO]- 243.14760 163.5
[M+CH3COO]- 257.16325 172.5
[M+Na-2H]- 219.12407 150.4
[M]+ 198.14885 142.5
[M]- 198.14995 142.5
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.