CID 498339

Nsc625570

Structural Information

Molecular Formula
C15H20
SMILES
C1C[CH][CH]CCC(C1)CC2=CC=CC=C2
InChI
InChI=1S/C15H20/c1-2-5-9-14(10-6-3-1)13-15-11-7-4-8-12-15/h1-2,4,7-8,11-12,14H,3,5-6,9-10,13H2
InChIKey
ULDJFXLHYTUENG-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1565 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16378 148.0
[M+Na]+ 223.14572 151.2
[M-H]- 199.14922 150.6
[M+NH4]+ 218.19032 156.4
[M+K]+ 239.11966 150.8
[M+H-H2O]+ 183.15376 143.9
[M+HCOO]- 245.15470 156.8
[M+CH3COO]- 259.17035 152.7
[M+Na-2H]- 221.13117 148.5
[M]+ 200.15595 145.3
[M]- 200.15705 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.