CID 175612

Einecs 305-303-4

Structural Information

Molecular Formula
C13H20O
SMILES
CC1(CC(C2=CCCCC21)(C)C=O)C
InChI
InChI=1S/C13H20O/c1-12(2)8-13(3,9-14)11-7-5-4-6-10(11)12/h7,9-10H,4-6,8H2,1-3H3
InChIKey
GHHCTCHDGTWLFZ-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-3a,4,5,6-tetrahydro-2H-indene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 143.5
[M+Na]+ 215.14063 151.7
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 170.3
[M+K]+ 231.11457 148.7
[M+H-H2O]+ 175.14867 139.5
[M+HCOO]- 237.14961 163.4
[M+CH3COO]- 251.16526 184.6
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 142.1
[M]- 192.15196 142.1
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

No patent data available for this compound.