CID 115705

64037-59-8

Structural Information

Molecular Formula
C7H16N2O2
SMILES
CCC(C)(CN(C)C)[N+](=O)[O-]
InChI
InChI=1S/C7H16N2O2/c1-5-7(2,9(10)11)6-8(3)4/h5-6H2,1-4H3
InChIKey
YZTFVZHIZMPERX-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-2-nitrobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 135.0
[M+Na]+ 183.11041 141.0
[M-H]- 159.11391 136.9
[M+NH4]+ 178.15501 155.8
[M+K]+ 199.08435 138.4
[M+H-H2O]+ 143.11845 135.0
[M+HCOO]- 205.11939 159.9
[M+CH3COO]- 219.13504 180.0
[M+Na-2H]- 181.09586 142.9
[M]+ 160.12064 135.6
[M]- 160.12174 135.6
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

patents stripe