CID 18835

N-tert-butyl-n-ethylnitrosamine

Structural Information

Molecular Formula
C6H14N2O
SMILES
CCN(C(C)(C)C)N=O
InChI
InChI=1S/C6H14N2O/c1-5-8(7-9)6(2,3)4/h5H2,1-4H3
InChIKey
AEMBWNDIEFEPTH-UHFFFAOYSA-N
Compound name
N-tert-butyl-N-ethylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12276
Patents

130.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 127.5
[M+Na]+ 153.09983 134.5
[M-H]- 129.10333 131.1
[M+NH4]+ 148.14443 150.7
[M+K]+ 169.07377 136.8
[M+H-H2O]+ 113.10787 122.5
[M+HCOO]- 175.10881 154.3
[M+CH3COO]- 189.12446 183.8
[M+Na-2H]- 151.08528 135.5
[M]+ 130.11006 130.6
[M]- 130.11116 130.6
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