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 159.1
[M+Na]+ 253.18865 162.6
[M-H]- 229.19215 158.7
[M+NH4]+ 248.23325 176.4
[M+K]+ 269.16259 157.8
[M+H-H2O]+ 213.19669 158.4
[M+HCOO]- 275.19763 180.9
[M+CH3COO]- 289.21328 192.3
[M+Na-2H]- 251.17410 163.9
[M]+ 230.19888 159.7
[M]- 230.19998 159.7
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.