CID 109294

Nopyl formate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1(C2CC=C(C1C2)CCOC=O)C
InChI
InChI=1S/C12H18O2/c1-12(2)10-4-3-9(11(12)7-10)5-6-14-8-13/h3,8,10-11H,4-7H2,1-2H3
InChIKey
AUZXOWYWPAMYTN-UHFFFAOYSA-N
Compound name
2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

194.13068 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 140.6
[M+Na]+ 217.11990 147.1
[M+NH4]+ 212.16450 148.1
[M+K]+ 233.09384 140.1
[M-H]- 193.12340 136.6
[M+Na-2H]- 215.10535 139.0
[M]+ 194.13013 139.4
[M]- 194.13123 139.4
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