CID 67164086

865774-15-8

Structural Information

Molecular Formula
C12H22N4O2
SMILES
CC(C)(C)CNCC(C)(C)N1C=C(N=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H22N4O2/c1-11(2,3)7-13-8-12(4,5)15-6-10(14-9-15)16(17)18/h6,9,13H,7-8H2,1-5H3
InChIKey
XOZGNDPAEOQKOV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-N-[2-methyl-2-(4-nitroimidazol-1-yl)propyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

254.17427 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18155 156.6
[M+Na]+ 277.16349 165.3
[M+NH4]+ 272.20809 162.1
[M+K]+ 293.13743 166.3
[M-H]- 253.16699 156.7
[M+Na-2H]- 275.14894 160.2
[M]+ 254.17372 157.5
[M]- 254.17482 157.5
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