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

27
Patents

134.10954 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 128.0
[M+Na]+ 157.09876 135.3
[M-H]- 133.10226 132.3
[M+NH4]+ 152.14336 152.9
[M+K]+ 173.07270 133.0
[M+H-H2O]+ 117.10680 123.1
[M+HCOO]- 179.10774 150.0
[M+CH3COO]- 193.12339 173.7
[M+Na-2H]- 155.08421 133.7
[M]+ 134.10899 125.2
[M]- 134.11009 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