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

1038
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 114.2
[M+Na]+ 110.05763 122.7
[M-H]- 86.061134 116.7
[M+NH4]+ 105.10223 138.8
[M+K]+ 126.03157 124.2
[M+H-H2O]+ 70.065670 110.4
[M+HCOO]- 132.06661 140.1
[M+CH3COO]- 146.08226 169.3
[M+Na-2H]- 108.04308 123.9
[M]+ 87.067861 116.1
[M]- 87.068959 116.1
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