CID 7809

P-xylene

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

986
References

207388
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

literature stripe

Patent stripe

patents stripe