CID 3459220

Nsc623654

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC1(CCC(CC1)C(C)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C11H21NO2/c1-10(2,3)9-5-7-11(4,8-6-9)12(13)14/h9H,5-8H2,1-4H3
InChIKey
HMKJRXOFRAIWHE-UHFFFAOYSA-N
Compound name
4-tert-butyl-1-methyl-1-nitrocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 145.7
[M+Na]+ 222.14645 150.7
[M-H]- 198.14995 148.9
[M+NH4]+ 217.19105 166.6
[M+K]+ 238.12039 146.1
[M+H-H2O]+ 182.15449 146.4
[M+HCOO]- 244.15543 165.1
[M+CH3COO]- 258.17108 180.1
[M+Na-2H]- 220.13190 152.6
[M]+ 199.15668 141.4
[M]- 199.15778 141.4
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

No patent data available for this compound.