CID 6429195

72928-52-0

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1(C2CC=C(C1C2)COC=O)C
InChI
InChI=1S/C11H16O2/c1-11(2)9-4-3-8(6-13-7-12)10(11)5-9/h3,7,9-10H,4-6H2,1-2H3
InChIKey
QHPJGDWWLWJMPM-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl formate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

18
Patents

180.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 148.5
[M+Na]+ 203.104258 155.0
[M-H]- 179.107764 148.3
[M+NH4]+ 198.148863 168.6
[M+K]+ 219.078198 156.0
[M+H-H2O]+ 163.112300 140.4
[M+HCOO]- 225.113241 163.4
[M+CH3COO]- 239.128891 190.4
[M+Na-2H]- 201.089706 158.4
[M]+ 180.11449142 162.9
[M]- 180.11558858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe