CID 3046844

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

Structural Information

Molecular Formula
C12H23NO3
SMILES
CN(C)CCOC(=O)C1(CCCCCC1)O
InChI
InChI=1S/C12H23NO3/c1-13(2)9-10-16-11(14)12(15)7-5-3-4-6-8-12/h15H,3-10H2,1-2H3
InChIKey
OQFJRLGCJUCVQG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-hydroxycycloheptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 149.5
[M+Na]+ 252.15702 150.5
[M-H]- 228.16052 152.9
[M+NH4]+ 247.20162 167.3
[M+K]+ 268.13096 155.1
[M+H-H2O]+ 212.16506 144.1
[M+HCOO]- 274.16600 167.9
[M+CH3COO]- 288.18165 193.3
[M+Na-2H]- 250.14247 152.1
[M]+ 229.16725 144.9
[M]- 229.16835 144.9
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.