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]+ 231.206706 159.1
[M+Na]+ 253.188648 162.6
[M-H]- 229.192154 158.7
[M+NH4]+ 248.233253 176.4
[M+K]+ 269.162588 157.8
[M+H-H2O]+ 213.196690 158.4
[M+HCOO]- 275.197631 180.9
[M+CH3COO]- 289.213281 192.3
[M+Na-2H]- 251.174096 163.9
[M]+ 230.19888142 159.7
[M]- 230.19997858 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.