CID 112134

68991-96-8

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(CCCC2=C1CCC(C2)C=O)C
InChI
InChI=1S/C13H20O/c1-13(2)7-3-4-11-8-10(9-14)5-6-12(11)13/h9-10H,3-8H2,1-2H3
InChIKey
POLSEKWMVQFBBA-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

192.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 143.9
[M+Na]+ 215.14063 150.1
[M-H]- 191.14413 147.7
[M+NH4]+ 210.18523 166.7
[M+K]+ 231.11457 147.4
[M+H-H2O]+ 175.14867 138.6
[M+HCOO]- 237.14961 161.7
[M+CH3COO]- 251.16526 185.2
[M+Na-2H]- 213.12608 148.9
[M]+ 192.15086 140.0
[M]- 192.15196 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe