CID 643587

Cis-hydrindane

Structural Information

Molecular Formula
C9H16
SMILES
C1CC[C@H]2CCC[C@H]2C1
InChI
InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+
InChIKey
BNRNAKTVFSZAFA-DTORHVGOSA-N
Compound name
(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

19602
Patents

124.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 128.0
[M+Na]+ 147.114418 132.6
[M-H]- 123.117924 131.3
[M+NH4]+ 142.159023 152.7
[M+K]+ 163.088358 131.0
[M+H-H2O]+ 107.122460 122.9
[M+HCOO]- 169.123401 147.4
[M+CH3COO]- 183.139051 170.4
[M+Na-2H]- 145.099866 132.7
[M]+ 124.12465142 121.5
[M]- 124.12574858 121.5
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