CID 23623868

1200-67-5

Structural Information

Molecular Formula
C11H18O2
SMILES
C[C@@]12CC[C@@H](C1(C)C)C[C@H]2OC=O
InChI
InChI=1S/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8-,9-,11+/m1/s1
InChIKey
RDWUNORUTVEHJF-KKZNHRDASA-N
Compound name
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

4634
Patents

182.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 140.9
[M+Na]+ 205.119898 150.1
[M-H]- 181.123404 144.3
[M+NH4]+ 200.164503 170.4
[M+K]+ 221.093838 147.9
[M+H-H2O]+ 165.127940 138.4
[M+HCOO]- 227.128881 162.1
[M+CH3COO]- 241.144531 182.3
[M+Na-2H]- 203.105346 145.7
[M]+ 182.13013142 143.0
[M]- 182.13122858 143.0
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