CID 69712148

1-(pyrrolidin-1-ylmethyl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CCN(C1)CC2(CC2)C(=O)O
InChI
InChI=1S/C9H15NO2/c11-8(12)9(3-4-9)7-10-5-1-2-6-10/h1-7H2,(H,11,12)
InChIKey
OCQBMEKGCYXCBK-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-1-ylmethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 139.5
[M+Na]+ 192.09950 147.0
[M-H]- 168.10300 143.9
[M+NH4]+ 187.14410 156.2
[M+K]+ 208.07344 145.1
[M+H-H2O]+ 152.10754 133.8
[M+HCOO]- 214.10848 158.6
[M+CH3COO]- 228.12413 177.8
[M+Na-2H]- 190.08495 143.1
[M]+ 169.10973 139.0
[M]- 169.11083 139.0
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