CID 162512

42370-07-0

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=O)C1C2CCC(C2)C1(C)C
InChI
InChI=1S/C11H18O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3
InChIKey
NGTMQRCBACIUES-UHFFFAOYSA-N
Compound name
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1128
Patents

166.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 140.3
[M+Na]+ 189.12499 148.2
[M-H]- 165.12849 143.4
[M+NH4]+ 184.16959 168.3
[M+K]+ 205.09893 146.1
[M+H-H2O]+ 149.13303 137.2
[M+HCOO]- 211.13397 160.2
[M+CH3COO]- 225.14962 181.4
[M+Na-2H]- 187.11044 142.3
[M]+ 166.13522 139.8
[M]- 166.13632 139.8
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