CID 141510

29817-09-2

Structural Information

Molecular Formula
C10H10
SMILES
C=C1CC1C2=CC=CC=C2
InChI
InChI=1S/C10H10/c1-8-7-10(8)9-5-3-2-4-6-9/h2-6,10H,1,7H2
InChIKey
UZXGMTRQCZEMNP-UHFFFAOYSA-N
Compound name
(2-methylidenecyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

130.07825 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08553 123.3
[M+Na]+ 153.06747 133.5
[M-H]- 129.07097 131.4
[M+NH4]+ 148.11207 140.8
[M+K]+ 169.04141 130.4
[M+H-H2O]+ 113.07551 117.3
[M+HCOO]- 175.07645 148.4
[M+CH3COO]- 189.09210 176.9
[M+Na-2H]- 151.05292 131.2
[M]+ 130.07770 124.4
[M]- 130.07880 124.4
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