CID 21030

4920-99-4

Structural Information

Molecular Formula
C11H16
SMILES
CCC1=CC(=CC=C1)C(C)C
InChI
InChI=1S/C11H16/c1-4-10-6-5-7-11(8-10)9(2)3/h5-9H,4H2,1-3H3
InChIKey
GSLSBTNLESMZTN-UHFFFAOYSA-N
Compound name
1-ethyl-3-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
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 132.2
[M+Na]+ 171.114418 139.5
[M-H]- 147.117924 136.0
[M+NH4]+ 166.159023 154.0
[M+K]+ 187.088358 137.8
[M+H-H2O]+ 131.122460 126.9
[M+HCOO]- 193.123401 155.2
[M+CH3COO]- 207.139051 179.5
[M+Na-2H]- 169.099866 137.6
[M]+ 148.12465142 132.6
[M]- 148.12574858 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