CID 10678716

2-(hexahydro-1h-pyrrolizin-7a-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC2(CCCN2C1)CC(=O)O
InChI
InChI=1S/C9H15NO2/c11-8(12)7-9-3-1-5-10(9)6-2-4-9/h1-7H2,(H,11,12)
InChIKey
VNCIGXSNWMPXKF-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 140.0
[M+Na]+ 192.09950 145.9
[M-H]- 168.10300 141.1
[M+NH4]+ 187.14410 164.4
[M+K]+ 208.07344 144.3
[M+H-H2O]+ 152.10754 134.9
[M+HCOO]- 214.10848 158.3
[M+CH3COO]- 228.12413 173.9
[M+Na-2H]- 190.08495 142.6
[M]+ 169.10973 136.2
[M]- 169.11083 136.2
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