CID 10492931

2-[4-(hydroxymethyl)-2,2,6-trimethyl-1,3-dihydroinden-5-yl]ethyl nitrate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC2=C(CC(C2)(C)C)C(=C1CCO[N+](=O)[O-])CO
InChI
InChI=1S/C15H21NO4/c1-10-6-11-7-15(2,3)8-13(11)14(9-17)12(10)4-5-20-16(18)19/h6,17H,4-5,7-9H2,1-3H3
InChIKey
QSUQUBXHKRJDDZ-UHFFFAOYSA-N
Compound name
2-[4-(hydroxymethyl)-2,2,6-trimethyl-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 164.1
[M+Na]+ 302.13628 171.6
[M-H]- 278.13978 167.6
[M+NH4]+ 297.18088 184.1
[M+K]+ 318.11022 164.6
[M+H-H2O]+ 262.14432 164.0
[M+HCOO]- 324.14526 185.7
[M+CH3COO]- 338.16091 194.0
[M+Na-2H]- 300.12173 168.7
[M]+ 279.14651 165.9
[M]- 279.14761 165.9
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.