CID 102880

2-alpha-tropanyl p-nitrophenylacetate hydrochloride

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CN1C2CCC1C(CC2)OC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C16H20N2O4/c1-17-12-6-8-14(17)15(9-7-12)22-16(19)10-11-2-4-13(5-3-11)18(20)21/h2-5,12,14-15H,6-10H2,1H3
InChIKey
LKPWZFUAXPVBDU-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-(4-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 170.4
[M+Na]+ 327.13152 174.2
[M-H]- 303.13502 174.3
[M+NH4]+ 322.17612 186.1
[M+K]+ 343.10546 167.4
[M+H-H2O]+ 287.13956 167.4
[M+HCOO]- 349.14050 187.8
[M+CH3COO]- 363.15615 199.0
[M+Na-2H]- 325.11697 173.5
[M]+ 304.14175 167.6
[M]- 304.14285 167.6
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.