CID 10754035

Inchi=1/c15h21no3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7h,5-6,8-9h2,1-4h

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC2=C(CC(C2)(C)C)C(=C1CCO[N+](=O)[O-])C
InChI
InChI=1S/C15H21NO3/c1-10-7-12-8-15(3,4)9-14(12)11(2)13(10)5-6-19-16(17)18/h7H,5-6,8-9H2,1-4H3
InChIKey
UJHFESNVIHZCMA-UHFFFAOYSA-N
Compound name
2-(2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl)ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 161.0
[M+Na]+ 286.14135 169.2
[M-H]- 262.14485 165.9
[M+NH4]+ 281.18595 182.5
[M+K]+ 302.11529 162.4
[M+H-H2O]+ 246.14939 160.7
[M+HCOO]- 308.15033 183.9
[M+CH3COO]- 322.16598 194.7
[M+Na-2H]- 284.12680 165.7
[M]+ 263.15158 163.2
[M]- 263.15268 163.2
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.