CID 23272

2-methyl-2-nitrosopropane dimer

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(C)(C)N=O
InChI
InChI=1S/C4H9NO/c1-4(2,3)5-6/h1-3H3
InChIKey
LUQZKEZPFQRRRK-UHFFFAOYSA-N
Compound name
2-methyl-2-nitrosopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

92
References

802
Patents

87.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.5
[M+Na]+ 110.05763 126.1
[M+NH4]+ 105.10223 124.1
[M+K]+ 126.03157 121.4
[M-H]- 86.061134 115.7
[M+Na-2H]- 108.04308 120.9
[M]+ 87.067861 117.0
[M]- 87.068959 117.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe