CID 138127

3,4-dimethylcumene

Structural Information

Molecular Formula
C11H16
SMILES
CC1=C(C=C(C=C1)C(C)C)C
InChI
InChI=1S/C11H16/c1-8(2)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3
InChIKey
MGMSKQZIAGFMRU-UHFFFAOYSA-N
Compound name
1,2-dimethyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1211
Patents

148.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.132476 131.1
[M+Na]+ 171.114418 139.4
[M-H]- 147.117924 135.3
[M+NH4]+ 166.159023 153.2
[M+K]+ 187.088358 137.7
[M+H-H2O]+ 131.122460 126.1
[M+HCOO]- 193.123401 154.1
[M+CH3COO]- 207.139051 180.6
[M+Na-2H]- 169.099866 135.9
[M]+ 148.12465142 131.9
[M]- 148.12574858 131.9
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