CID 79043

Carane

Structural Information

Molecular Formula
C10H18
SMILES
CC1CCC2C(C1)C2(C)C
InChI
InChI=1S/C10H18/c1-7-4-5-8-9(6-7)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKey
BWRHOYDPVJPXMF-UHFFFAOYSA-N
Compound name
3,7,7-trimethylbicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

5038
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 131.8
[M+Na]+ 161.130068 141.3
[M-H]- 137.133574 137.4
[M+NH4]+ 156.174673 152.2
[M+K]+ 177.104008 139.7
[M+H-H2O]+ 121.138110 127.3
[M+HCOO]- 183.139051 151.3
[M+CH3COO]- 197.154701 180.9
[M+Na-2H]- 159.115516 138.2
[M]+ 138.14030142 132.7
[M]- 138.14139858 132.7
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.