CID 28972306

5-(pyrrolidin-1-yl)pentanoic acid hydrochloride

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CCN(C1)CCCCC(=O)O
InChI
InChI=1S/C9H17NO2/c11-9(12)5-1-2-6-10-7-3-4-8-10/h1-8H2,(H,11,12)
InChIKey
ZPHNBDPZXBQXSI-UHFFFAOYSA-N
Compound name
5-pyrrolidin-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

171.12593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 141.0
[M+Na]+ 194.11515 145.7
[M-H]- 170.11865 140.8
[M+NH4]+ 189.15975 160.7
[M+K]+ 210.08909 144.4
[M+H-H2O]+ 154.12319 134.6
[M+HCOO]- 216.12413 160.1
[M+CH3COO]- 230.13978 176.1
[M+Na-2H]- 192.10060 143.0
[M]+ 171.12538 138.8
[M]- 171.12648 138.8
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

patents stripe