CID 4640558

2-methyl-2-nitrotridecane

Structural Information

Molecular Formula
C14H29NO2
SMILES
CCCCCCCCCCCC(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C14H29NO2/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15(16)17/h4-13H2,1-3H3
InChIKey
BBWXXIOZKWWNQT-UHFFFAOYSA-N
Compound name
2-methyl-2-nitrotridecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.21983 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.22711 166.3
[M+Na]+ 266.20905 170.1
[M-H]- 242.21255 165.6
[M+NH4]+ 261.25365 183.6
[M+K]+ 282.18299 164.4
[M+H-H2O]+ 226.21709 165.6
[M+HCOO]- 288.21803 187.4
[M+CH3COO]- 302.23368 193.2
[M+Na-2H]- 264.19450 170.8
[M]+ 243.21928 169.2
[M]- 243.22038 169.2
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

No patent data available for this compound.