CID 115705

N,n,2-trimethyl-2-nitrobutan-1-amine

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]+ 161.128466 135.0
[M+Na]+ 183.110408 141.0
[M-H]- 159.113914 136.9
[M+NH4]+ 178.155013 155.8
[M+K]+ 199.084348 138.4
[M+H-H2O]+ 143.118450 135.0
[M+HCOO]- 205.119391 159.9
[M+CH3COO]- 219.135041 180.0
[M+Na-2H]- 181.095856 142.9
[M]+ 160.12064142 135.6
[M]- 160.12173858 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