CID 199519

4339-97-3

Structural Information

Molecular Formula
C17H25NO2
SMILES
CN(C)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-18(2)13-8-14-20-16(19)17(11-6-7-12-17)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKey
LQMVLFHNUXVCKV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.18854 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.7
[M+Na]+ 298.17776 172.0
[M-H]- 274.18126 175.6
[M+NH4]+ 293.22236 188.3
[M+K]+ 314.15170 170.5
[M+H-H2O]+ 258.18580 161.3
[M+HCOO]- 320.18674 191.1
[M+CH3COO]- 334.20239 202.8
[M+Na-2H]- 296.16321 170.1
[M]+ 275.18799 169.0
[M]- 275.18909 169.0
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