CID 418091

17397-11-4

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)C(C1CC1)(C(C)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H23NO4/c1-11(2)17(12(3)4,14-7-8-14)22-16(19)13-5-9-15(10-6-13)18(20)21/h5-6,9-12,14H,7-8H2,1-4H3
InChIKey
MUSYICBRKHFTOR-UHFFFAOYSA-N
Compound name
(3-cyclopropyl-2,4-dimethylpentan-3-yl) 4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 172.3
[M+Na]+ 328.15194 184.0
[M+NH4]+ 323.19654 179.2
[M+K]+ 344.12588 183.6
[M-H]- 304.15544 181.7
[M+Na-2H]- 326.13739 179.1
[M]+ 305.16217 177.6
[M]- 305.16327 177.6
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.