CID 110989

1h-indene, 3a,4,7,7a-tetrahydro-4-methyl-

Structural Information

Molecular Formula
C10H14
SMILES
CC1C=CCC2C1C=CC2
InChI
InChI=1S/C10H14/c1-8-4-2-5-9-6-3-7-10(8)9/h2-4,7-10H,5-6H2,1H3
InChIKey
YVLGRGCYQOZGCO-UHFFFAOYSA-N
Compound name
4-methyl-3a,4,7,7a-tetrahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

134.10954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 128.0
[M+Na]+ 157.098758 135.3
[M-H]- 133.102264 132.3
[M+NH4]+ 152.143363 152.9
[M+K]+ 173.072698 133.0
[M+H-H2O]+ 117.106800 123.1
[M+HCOO]- 179.107741 150.0
[M+CH3COO]- 193.123391 173.7
[M+Na-2H]- 155.084206 133.7
[M]+ 134.10899142 125.2
[M]- 134.11008858 125.2
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

patents stripe