CID 94614

65152-04-7

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)(C)C(C(C)(C)O[N+](=O)[O-])N=O
InChI
InChI=1S/C8H16N2O4/c1-7(2,3)6(9-11)8(4,5)14-10(12)13/h6H,1-5H3
InChIKey
HURYWNGDZHVCPR-UHFFFAOYSA-N
Compound name
(2,4,4-trimethyl-3-nitrosopentan-2-yl) nitrate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

204.11101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 142.2
[M+Na]+ 227.100228 148.4
[M-H]- 203.103734 144.4
[M+NH4]+ 222.144833 161.2
[M+K]+ 243.074168 146.3
[M+H-H2O]+ 187.108270 142.5
[M+HCOO]- 249.109211 165.9
[M+CH3COO]- 263.124861 185.4
[M+Na-2H]- 225.085676 151.5
[M]+ 204.11046142 144.6
[M]- 204.11155858 144.6
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.