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

13
Patents

143.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.113146 130.1
[M+Na]+ 166.095088 136.4
[M-H]- 142.098594 131.7
[M+NH4]+ 161.139693 149.2
[M+K]+ 182.069028 136.5
[M+H-H2O]+ 126.103130 122.5
[M+HCOO]- 188.104071 151.5
[M+CH3COO]- 202.119721 178.5
[M+Na-2H]- 164.080536 137.0
[M]+ 143.10532142 127.8
[M]- 143.10641858 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