CID 10516792

2-[(1r)-1-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-5-yl]ethyl nitrate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC2=C(CC([C@H]2O)(C)C)C(=C1CCO[N+](=O)[O-])C
InChI
InChI=1S/C15H21NO4/c1-9-7-12-13(8-15(3,4)14(12)17)10(2)11(9)5-6-20-16(18)19/h7,14,17H,5-6,8H2,1-4H3/t14-/m0/s1
InChIKey
QCCAHYCTJMRAJO-AWEZNQCLSA-N
Compound name
2-[(1R)-1-hydroxy-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

279.14706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 163.1
[M+Na]+ 302.13628 171.5
[M-H]- 278.13978 167.0
[M+NH4]+ 297.18088 183.4
[M+K]+ 318.11022 164.5
[M+H-H2O]+ 262.14432 163.3
[M+HCOO]- 324.14526 184.6
[M+CH3COO]- 338.16091 195.2
[M+Na-2H]- 300.12173 167.2
[M]+ 279.14651 165.3
[M]- 279.14761 165.3
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.