CID 94614

1,1,3,3-tetramethyl-2-nitrosobutyl nitrate

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 164.9
[M+Na]+ 227.10023 171.6
[M+NH4]+ 222.14483 173.8
[M+K]+ 243.07417 180.2
[M-H]- 203.10373 140.7
[M+Na-2H]- 225.08568 144.1
[M]+ 204.11046 166.8
[M]- 204.11156 166.8
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.