CID 79017

Thujane

Structural Information

Molecular Formula
C10H18
SMILES
CC1CCC2(C1C2)C(C)C
InChI
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
InChIKey
GCTNBVHDRFKLLK-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1885
Patents

138.14085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 131.9
[M+Na]+ 161.130068 141.2
[M-H]- 137.133574 137.3
[M+NH4]+ 156.174673 153.6
[M+K]+ 177.104008 139.4
[M+H-H2O]+ 121.138110 127.8
[M+HCOO]- 183.139051 152.3
[M+CH3COO]- 197.154701 180.4
[M+Na-2H]- 159.115516 136.6
[M]+ 138.14030142 133.8
[M]- 138.14139858 133.8
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.