CID 3051582

Ro 1-5575

Structural Information

Molecular Formula
C10H15N2O2
SMILES
CC1=[N+](C=C(C=C1)OC(=O)N(C)C)C
InChI
InChI=1S/C10H15N2O2/c1-8-5-6-9(7-12(8)4)14-10(13)11(2)3/h5-7H,1-4H3/q+1
InChIKey
KAXYMQXIQGBKJV-UHFFFAOYSA-N
Compound name
(1,6-dimethylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11336 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.120636 141.8
[M+Na]+ 218.102578 150.1
[M-H]- 194.106084 146.4
[M+NH4]+ 213.147183 160.6
[M+K]+ 234.076518 144.6
[M+H-H2O]+ 178.110620 137.7
[M+HCOO]- 240.111561 165.7
[M+CH3COO]- 254.127211 183.3
[M+Na-2H]- 216.088026 148.9
[M]+ 195.11281142 143.9
[M]- 195.11390858 143.9
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.