CID 14668693

1-cyclopropylnaphthalene

Structural Information

Molecular Formula
C13H12
SMILES
C1CC1C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H12/c1-2-6-12-10(4-1)5-3-7-13(12)11-8-9-11/h1-7,11H,8-9H2
InChIKey
VZZBXOLWBXJHEK-UHFFFAOYSA-N
Compound name
1-cyclopropylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

479
Patents

168.0939 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10118 132.9
[M+Na]+ 191.08312 142.9
[M-H]- 167.08662 141.3
[M+NH4]+ 186.12772 149.6
[M+K]+ 207.05706 139.0
[M+H-H2O]+ 151.09116 126.2
[M+HCOO]- 213.09210 156.6
[M+CH3COO]- 227.10775 146.9
[M+Na-2H]- 189.06857 142.0
[M]+ 168.09335 134.2
[M]- 168.09445 134.2
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