CID 44689

63765-90-2

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CCCCC(CC)CNCC(C)(C)[N+](=O)[O-]
InChI
InChI=1S/C12H26N2O2/c1-5-7-8-11(6-2)9-13-10-12(3,4)14(15)16/h11,13H,5-10H2,1-4H3
InChIKey
ZWNSDNRWTPIDSH-UHFFFAOYSA-N
Compound name
2-ethyl-N-(2-methyl-2-nitropropyl)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 156.2
[M+Na]+ 253.18865 164.3
[M+NH4]+ 248.23325 162.5
[M+K]+ 269.16259 161.9
[M-H]- 229.19215 156.4
[M+Na-2H]- 251.17410 157.9
[M]+ 230.19888 157.0
[M]- 230.19998 157.0
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.