CID 84398

2-prop-1-enyl-p-cymene

Structural Information

Molecular Formula
C13H18
SMILES
CC=CC1=C(C=CC(=C1)C(C)C)C
InChI
InChI=1S/C13H18/c1-5-6-13-9-12(10(2)3)8-7-11(13)4/h5-10H,1-4H3
InChIKey
IRICXAFZMINCTB-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-yl-2-prop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

166
Patents

174.14085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 139.2
[M+Na]+ 197.13007 147.0
[M-H]- 173.13357 143.1
[M+NH4]+ 192.17467 160.3
[M+K]+ 213.10401 144.2
[M+H-H2O]+ 157.13811 133.9
[M+HCOO]- 219.13905 161.7
[M+CH3COO]- 233.15470 185.1
[M+Na-2H]- 195.11552 142.9
[M]+ 174.14030 140.0
[M]- 174.14140 140.0
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