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]+ 196.12064 141.8
[M+Na]+ 218.10258 150.1
[M-H]- 194.10608 146.4
[M+NH4]+ 213.14718 160.6
[M+K]+ 234.07652 144.6
[M+H-H2O]+ 178.11062 137.7
[M+HCOO]- 240.11156 165.7
[M+CH3COO]- 254.12721 183.3
[M+Na-2H]- 216.08803 148.9
[M]+ 195.11281 143.9
[M]- 195.11391 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.