CID 3087171

Dtxsid10921090

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CC(CCC1CN)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h5-8,10-11H,1-4,9,14H2
InChIKey
UMAXMXUJWJOPIE-UHFFFAOYSA-N
Compound name
[4-(4-nitrophenyl)cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 152.6
[M+Na]+ 257.126048 156.1
[M-H]- 233.129554 157.9
[M+NH4]+ 252.170653 168.6
[M+K]+ 273.099988 149.0
[M+H-H2O]+ 217.134090 149.8
[M+HCOO]- 279.135031 174.5
[M+CH3COO]- 293.150681 187.8
[M+Na-2H]- 255.111496 157.1
[M]+ 234.13628142 145.1
[M]- 234.13737858 145.1
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.