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

24821
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 127.1
[M+Na]+ 155.08312 134.3
[M-H]- 131.08662 130.8
[M+NH4]+ 150.12772 149.2
[M+K]+ 171.05706 132.2
[M+H-H2O]+ 115.09116 121.9
[M+HCOO]- 177.09210 150.7
[M+CH3COO]- 191.10775 173.8
[M+Na-2H]- 153.06857 133.8
[M]+ 132.09335 126.0
[M]- 132.09445 126.0
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