CID 52004

73663-99-7

Structural Information

Molecular Formula
C11H14ClN2
SMILES
C[N+](C)(C)C(C#N)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H14ClN2/c1-14(2,3)11(8-13)9-4-6-10(12)7-5-9/h4-7,11H,1-3H3/q+1
InChIKey
RLMUHPCLGHKQDK-UHFFFAOYSA-N
Compound name
[(4-chlorophenyl)-cyanomethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08455 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09183 149.7
[M+Na]+ 232.07377 159.5
[M-H]- 208.07727 154.3
[M+NH4]+ 227.11837 167.9
[M+K]+ 248.04771 150.7
[M+H-H2O]+ 192.08181 140.8
[M+HCOO]- 254.08275 165.2
[M+CH3COO]- 268.09840 197.4
[M+Na-2H]- 230.05922 156.8
[M]+ 209.08400 145.7
[M]- 209.08510 145.7
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.