CID 7929

M-xylene

Structural Information

Molecular Formula
C8H10
SMILES
CC1=CC(=CC=C1)C
InChI
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
InChIKey
IVSZLXZYQVIEFR-UHFFFAOYSA-N
Compound name
1,3-xylene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

617
References

228062
Patents

106.07825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08553 117.7
[M+Na]+ 129.06747 126.6
[M-H]- 105.07097 122.0
[M+NH4]+ 124.11207 141.3
[M+K]+ 145.04141 125.2
[M+H-H2O]+ 89.075510 113.0
[M+HCOO]- 151.07645 142.8
[M+CH3COO]- 165.09210 169.6
[M+Na-2H]- 127.05292 126.2
[M]+ 106.07770 117.7
[M]- 106.07880 117.7
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.