CID 70112

Cyclopropylbenzene

Structural Information

Molecular Formula
C9H10
SMILES
C1CC1C2=CC=CC=C2
InChI
InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
InChIKey
VFSFCYAQBIPUSL-UHFFFAOYSA-N
Compound name
cyclopropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

6431
Patents

118.07825 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.08553 120.4
[M+Na]+ 141.06747 129.8
[M-H]- 117.07097 128.2
[M+NH4]+ 136.11207 138.1
[M+K]+ 157.04141 127.7
[M+H-H2O]+ 101.07551 114.3
[M+HCOO]- 163.07645 145.7
[M+CH3COO]- 177.09210 173.9
[M+Na-2H]- 139.05292 129.5
[M]+ 118.07770 121.4
[M]- 118.07880 121.4
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