CID 498341

Nsc625571

Structural Information

Molecular Formula
C17H20
SMILES
C1C[CH][CH]CCC(C1)C2C=CC3=CC=CC=C23
InChI
InChI=1S/C17H20/c1-2-4-8-14(9-5-3-1)17-13-12-15-10-6-7-11-16(15)17/h1-2,6-7,10-14,17H,3-5,8-9H2
InChIKey
HNVANPRSCOCEBW-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1565 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.16378 158.5
[M+Na]+ 247.14572 162.2
[M-H]- 223.14922 161.6
[M+NH4]+ 242.19032 167.7
[M+K]+ 263.11966 161.2
[M+H-H2O]+ 207.15376 154.3
[M+HCOO]- 269.15470 167.0
[M+CH3COO]- 283.17035 162.9
[M+Na-2H]- 245.13117 157.5
[M]+ 224.15595 155.9
[M]- 224.15705 155.9
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.