CID 85132500

Collybial

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1(CC2C1CC=C(C3C2(CC3=O)C)C=O)C
InChI
InChI=1S/C15H20O2/c1-14(2)6-11-10(14)5-4-9(8-16)13-12(17)7-15(11,13)3/h4,8,10-11,13H,5-7H2,1-3H3
InChIKey
HMBNCKSBZMIUGA-UHFFFAOYSA-N
Compound name
2,10,10-trimethyl-4-oxotricyclo[7.2.0.02,5]undec-6-ene-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

232.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 151.5
[M+Na]+ 255.13555 157.6
[M-H]- 231.13905 158.3
[M+NH4]+ 250.18015 161.9
[M+K]+ 271.10949 159.9
[M+H-H2O]+ 215.14359 143.4
[M+HCOO]- 277.14453 166.4
[M+CH3COO]- 291.16018 207.2
[M+Na-2H]- 253.12100 155.4
[M]+ 232.14578 166.0
[M]- 232.14688 166.0
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