CID 209253

1-methyl-1h-perimidine

Structural Information

Molecular Formula
C12H10N2
SMILES
CN1C=NC2=CC=CC3=C2C1=CC=C3
InChI
InChI=1S/C12H10N2/c1-14-8-13-10-6-2-4-9-5-3-7-11(14)12(9)10/h2-8H,1H3
InChIKey
WLQWDTFOKYWCQK-UHFFFAOYSA-N
Compound name
1-methylperimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

266
Patents

182.0844 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09168 138.1
[M+Na]+ 205.07362 147.9
[M-H]- 181.07712 140.2
[M+NH4]+ 200.11822 157.9
[M+K]+ 221.04756 143.5
[M+H-H2O]+ 165.08166 130.1
[M+HCOO]- 227.08260 157.3
[M+CH3COO]- 241.09825 151.2
[M+Na-2H]- 203.05907 149.0
[M]+ 182.08385 138.7
[M]- 182.08495 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe