CID 13030

768-49-0

Structural Information

Molecular Formula
C10H12
SMILES
CC(=CC1=CC=CC=C1)C
InChI
InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
BTOVVHWKPVSLBI-UHFFFAOYSA-N
Compound name
2-methylprop-1-enylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

21252
Patents

132.0939 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10118 128.4
[M+Na]+ 155.08312 142.0
[M+NH4]+ 150.12772 138.2
[M+K]+ 171.05706 134.3
[M-H]- 131.08662 131.5
[M+Na-2H]- 153.06857 136.6
[M]+ 132.09335 131.3
[M]- 132.09445 131.3
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