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]+ 233.226376 154.7
[M+Na]+ 255.208318 163.1
[M-H]- 231.211824 159.2
[M+NH4]+ 250.252923 180.6
[M+K]+ 271.182258 158.7
[M+H-H2O]+ 215.216360 150.9
[M+HCOO]- 277.217301 173.1
[M+CH3COO]- 291.232951 197.0
[M+Na-2H]- 253.193766 156.3
[M]+ 232.21855142 154.0
[M]- 232.21964858 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.