CID 74274

(cyclopropylmethyl)benzene

Structural Information

Molecular Formula
C10H12
SMILES
C1CC1CC2=CC=CC=C2
InChI
InChI=1S/C10H12/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,10H,6-8H2
InChIKey
GUGXBRGATQTAFP-UHFFFAOYSA-N
Compound name
cyclopropylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

757
Patents

132.0939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.101176 124.8
[M+Na]+ 155.083118 133.7
[M-H]- 131.086624 132.4
[M+NH4]+ 150.127723 141.9
[M+K]+ 171.057058 131.4
[M+H-H2O]+ 115.091160 118.4
[M+HCOO]- 177.092101 149.7
[M+CH3COO]- 191.107751 176.8
[M+Na-2H]- 153.068566 133.3
[M]+ 132.09335142 126.1
[M]- 132.09444858 126.1
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