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
2
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]+ 205.11829 142.2
[M+Na]+ 227.10023 148.4
[M-H]- 203.10373 144.4
[M+NH4]+ 222.14483 161.2
[M+K]+ 243.07417 146.3
[M+H-H2O]+ 187.10827 142.5
[M+HCOO]- 249.10921 165.9
[M+CH3COO]- 263.12486 185.4
[M+Na-2H]- 225.08568 151.5
[M]+ 204.11046 144.6
[M]- 204.11156 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.