CID 21240

5161-04-6

Structural Information

Molecular Formula
C11H16
SMILES
CC1=CC=C(C=C1)CC(C)C
InChI
InChI=1S/C11H16/c1-9(2)8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey
VCGBZXLLPCGFQM-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1575
Patents

148.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13248 132.2
[M+Na]+ 171.11442 139.5
[M-H]- 147.11792 136.0
[M+NH4]+ 166.15902 154.0
[M+K]+ 187.08836 137.8
[M+H-H2O]+ 131.12246 126.9
[M+HCOO]- 193.12340 155.2
[M+CH3COO]- 207.13905 179.5
[M+Na-2H]- 169.09987 137.6
[M]+ 148.12465 132.6
[M]- 148.12575 132.6
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