CID 90472176

N9nmt97jqn

Structural Information

Molecular Formula
C17H28
SMILES
CC1C(C2CCC(=CC2C1(C)C)CC=C)(C)C
InChI
InChI=1S/C17H28/c1-7-8-13-9-10-14-15(11-13)17(5,6)12(2)16(14,3)4/h7,11-12,14-15H,1,8-10H2,2-6H3
InChIKey
IZJSQGHVYBMLTF-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-6-prop-2-enyl-3a,4,5,7a-tetrahydro-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

232.2191 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.22638 154.7
[M+Na]+ 255.20832 163.1
[M-H]- 231.21182 159.2
[M+NH4]+ 250.25292 180.6
[M+K]+ 271.18226 158.7
[M+H-H2O]+ 215.21636 150.9
[M+HCOO]- 277.21730 173.1
[M+CH3COO]- 291.23295 197.0
[M+Na-2H]- 253.19377 156.3
[M]+ 232.21855 154.0
[M]- 232.21965 154.0
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

No patent data available for this compound.