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

216
Patents

188.1565 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16378 140.4
[M+Na]+ 211.14572 151.0
[M-H]- 187.14922 146.0
[M+NH4]+ 206.19032 168.1
[M+K]+ 227.11966 147.6
[M+H-H2O]+ 171.15376 136.6
[M+HCOO]- 233.15470 162.7
[M+CH3COO]- 247.17035 186.9
[M+Na-2H]- 209.13117 146.1
[M]+ 188.15595 142.0
[M]- 188.15705 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