CID 10953964

6-methyl-1,2,3,5-tetrahydro-s-indacene

Structural Information

Molecular Formula
C13H14
SMILES
CC1=CC2=C(C1)C=C3CCCC3=C2
InChI
InChI=1S/C13H14/c1-9-5-12-7-10-3-2-4-11(10)8-13(12)6-9/h5,7-8H,2-4,6H2,1H3
InChIKey
AHMSERHYRMNFKO-UHFFFAOYSA-N
Compound name
6-methyl-1,2,3,5-tetrahydro-s-indacene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

170.10954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.116816 137.6
[M+Na]+ 193.098758 147.0
[M-H]- 169.102264 143.5
[M+NH4]+ 188.143363 164.2
[M+K]+ 209.072698 143.0
[M+H-H2O]+ 153.106800 133.0
[M+HCOO]- 215.107741 160.8
[M+CH3COO]- 229.123391 152.3
[M+Na-2H]- 191.084206 142.0
[M]+ 170.10899142 137.4
[M]- 170.11008858 137.4
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

patents stripe