CID 562631

Naphthalene, 1,2,3,5,8,8a-hexahydro-

Structural Information

Molecular Formula
C10H14
SMILES
C1CC=C2CC=CCC2C1
InChI
InChI=1S/C10H14/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,7,10H,3-6,8H2
InChIKey
IMFJEYVXPUKRFA-UHFFFAOYSA-N
Compound name
1,2,3,5,8,8a-hexahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

134.10954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 126.9
[M+Na]+ 157.098758 132.2
[M-H]- 133.102264 130.5
[M+NH4]+ 152.143363 149.5
[M+K]+ 173.072698 129.9
[M+H-H2O]+ 117.106800 121.2
[M+HCOO]- 179.107741 146.7
[M+CH3COO]- 193.123391 140.0
[M+Na-2H]- 155.084206 134.9
[M]+ 134.10899142 121.5
[M]- 134.11008858 121.5
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