CID 67164086

2,2-dimethyl-n-(2-methyl-2-(4-nitro-1h-imidazol-1-yl)propyl)propan-1-amine

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 160.5
[M+Na]+ 277.16349 166.2
[M-H]- 253.16699 161.9
[M+NH4]+ 272.20809 176.0
[M+K]+ 293.13743 160.7
[M+H-H2O]+ 237.17153 158.3
[M+HCOO]- 299.17247 181.3
[M+CH3COO]- 313.18812 192.9
[M+Na-2H]- 275.14894 168.9
[M]+ 254.17372 160.2
[M]- 254.17482 160.2
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