CID 44148316

85392-39-8

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1CC2C(C2(C)C)CC1OC(=O)C
InChI
InChI=1S/C12H20O2/c1-7-5-9-10(12(9,3)4)6-11(7)14-8(2)13/h7,9-11H,5-6H2,1-4H3
InChIKey
UWKSAKQUWSBZEJ-UHFFFAOYSA-N
Compound name
(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.6
[M+Na]+ 219.135548 155.2
[M-H]- 195.139054 151.2
[M+NH4]+ 214.180153 163.9
[M+K]+ 235.109488 153.4
[M+H-H2O]+ 179.143590 141.3
[M+HCOO]- 241.144531 163.9
[M+CH3COO]- 255.160181 190.9
[M+Na-2H]- 217.120996 149.3
[M]+ 196.14578142 149.3
[M]- 196.14687858 149.3
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.