CID 13629

4-ethyl-o-xylene

Structural Information

Molecular Formula
C10H14
SMILES
CCC1=CC(=C(C=C1)C)C
InChI
InChI=1S/C10H14/c1-4-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3
InChIKey
SBUYFICWQNHBCM-UHFFFAOYSA-N
Compound name
4-ethyl-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

2029
Patents

134.10954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 126.3
[M+Na]+ 157.09876 135.3
[M-H]- 133.10226 130.6
[M+NH4]+ 152.14336 149.1
[M+K]+ 173.07270 133.4
[M+H-H2O]+ 117.10680 121.5
[M+HCOO]- 179.10774 150.7
[M+CH3COO]- 193.12339 176.8
[M+Na-2H]- 155.08421 133.0
[M]+ 134.10899 127.5
[M]- 134.11009 127.5
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