CID 3087171

Mg 16021

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]+ 235.14411 152.6
[M+Na]+ 257.12605 156.1
[M-H]- 233.12955 157.9
[M+NH4]+ 252.17065 168.6
[M+K]+ 273.09999 149.0
[M+H-H2O]+ 217.13409 149.8
[M+HCOO]- 279.13503 174.5
[M+CH3COO]- 293.15068 187.8
[M+Na-2H]- 255.11150 157.1
[M]+ 234.13628 145.1
[M]- 234.13738 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.