CID 3046846

Cycloheptanecarboxylic acid, 1-hydroxy-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C14H25NO3
SMILES
C1CCCC(CC1)(C(=O)OCCN2CCCC2)O
InChI
InChI=1S/C14H25NO3/c16-13(14(17)7-3-1-2-4-8-14)18-12-11-15-9-5-6-10-15/h17H,1-12H2
InChIKey
VIQYAFLZFGNJIO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 160.3
[M+Na]+ 278.17266 160.4
[M-H]- 254.17616 163.4
[M+NH4]+ 273.21726 176.5
[M+K]+ 294.14660 161.8
[M+H-H2O]+ 238.18070 152.8
[M+HCOO]- 300.18164 174.5
[M+CH3COO]- 314.19729 190.2
[M+Na-2H]- 276.15811 160.0
[M]+ 255.18289 151.7
[M]- 255.18399 151.7
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.