CID 3074957

169128-43-2

Structural Information

Molecular Formula
C16H25N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)CN(C)C2CCCCC2
InChI
InChI=1S/C16H25N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKey
LYHXVAKLEPGMNM-UHFFFAOYSA-N
Compound name
[2-[[cyclohexyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20195 170.6
[M+Na]+ 314.18389 172.7
[M-H]- 290.18739 177.2
[M+NH4]+ 309.22849 184.7
[M+K]+ 330.15783 172.6
[M+H-H2O]+ 274.19193 160.8
[M+HCOO]- 336.19287 191.3
[M+CH3COO]- 350.20852 212.3
[M+Na-2H]- 312.16934 172.2
[M]+ 291.19412 169.4
[M]- 291.19522 169.4
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.