CID 82076

7603-37-4

Structural Information

Molecular Formula
C9H12
SMILES
C1CC2=C(C1)CC=CC2
InChI
InChI=1S/C9H12/c1-2-5-9-7-3-6-8(9)4-1/h1-2H,3-7H2
InChIKey
PJEOOBRBALZZSL-UHFFFAOYSA-N
Compound name
2,3,4,7-tetrahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

120.0939 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.10118 123.7
[M+Na]+ 143.08312 130.5
[M-H]- 119.08662 127.8
[M+NH4]+ 138.12772 148.9
[M+K]+ 159.05706 128.5
[M+H-H2O]+ 103.09116 118.7
[M+HCOO]- 165.09210 146.1
[M+CH3COO]- 179.10775 138.0
[M+Na-2H]- 141.06857 130.6
[M]+ 120.09335 120.2
[M]- 120.09445 120.2
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