CID 14549

1,1,2,3,3-pentamethylindan

Structural Information

Molecular Formula
C14H20
SMILES
CC1C(C2=CC=CC=C2C1(C)C)(C)C
InChI
InChI=1S/C14H20/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h6-10H,1-5H3
InChIKey
ZCMKNGQFIXAHLP-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

288
Patents

188.1565 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 140.4
[M+Na]+ 211.145718 151.0
[M-H]- 187.149224 146.0
[M+NH4]+ 206.190323 168.1
[M+K]+ 227.119658 147.6
[M+H-H2O]+ 171.153760 136.6
[M+HCOO]- 233.154701 162.7
[M+CH3COO]- 247.170351 186.9
[M+Na-2H]- 209.131166 146.1
[M]+ 188.15595142 142.0
[M]- 188.15704858 142.0
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