CID 27826

1-methyl-4-nitrosopiperazine

Structural Information

Molecular Formula
C5H11N3O
SMILES
CN1CCN(CC1)N=O
InChI
InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3
InChIKey
CEAIOKFZXJMDAS-UHFFFAOYSA-N
Compound name
1-methyl-4-nitrosopiperazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

65
Patents

129.09021 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.097486 125.5
[M+Na]+ 152.079428 132.3
[M-H]- 128.082934 127.4
[M+NH4]+ 147.124033 145.2
[M+K]+ 168.053368 132.7
[M+H-H2O]+ 112.087470 118.2
[M+HCOO]- 174.088411 147.4
[M+CH3COO]- 188.104061 175.4
[M+Na-2H]- 150.064876 133.0
[M]+ 129.08966142 123.0
[M]- 129.09075858 123.0
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