CID 12554624

1-ethyl-4-nitrosopiperazine

Structural Information

Molecular Formula
C6H13N3O
SMILES
CCN1CCN(CC1)N=O
InChI
InChI=1S/C6H13N3O/c1-2-8-3-5-9(7-10)6-4-8/h2-6H2,1H3
InChIKey
CWZUYOLYTOIBRY-UHFFFAOYSA-N
Compound name
1-ethyl-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.11315 130.1
[M+Na]+ 166.09509 136.4
[M-H]- 142.09859 131.7
[M+NH4]+ 161.13969 149.2
[M+K]+ 182.06903 136.5
[M+H-H2O]+ 126.10313 122.5
[M+HCOO]- 188.10407 151.5
[M+CH3COO]- 202.11972 178.5
[M+Na-2H]- 164.08054 137.0
[M]+ 143.10532 127.8
[M]- 143.10642 127.8
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