CID 10695

1,2,3,5-tetramethylbenzene

Structural Information

Molecular Formula
C10H14
SMILES
CC1=CC(=C(C(=C1)C)C)C
InChI
InChI=1S/C10H14/c1-7-5-8(2)10(4)9(3)6-7/h5-6H,1-4H3
InChIKey
BFIMMTCNYPIMRN-UHFFFAOYSA-N
Compound name
1,2,3,5-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

17055
Patents

134.10954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 125.2
[M+Na]+ 157.09876 135.2
[M-H]- 133.10226 130.0
[M+NH4]+ 152.14336 148.4
[M+K]+ 173.07270 133.4
[M+H-H2O]+ 117.10680 120.7
[M+HCOO]- 179.10774 149.6
[M+CH3COO]- 193.12339 177.9
[M+Na-2H]- 155.08421 131.3
[M]+ 134.10899 126.8
[M]- 134.11009 126.8
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