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

64
Patents

170.10954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11682 137.6
[M+Na]+ 193.09876 147.0
[M-H]- 169.10226 143.5
[M+NH4]+ 188.14336 164.2
[M+K]+ 209.07270 143.0
[M+H-H2O]+ 153.10680 133.0
[M+HCOO]- 215.10774 160.8
[M+CH3COO]- 229.12339 152.3
[M+Na-2H]- 191.08421 142.0
[M]+ 170.10899 137.4
[M]- 170.11009 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