CID 103381

Cyclohexenebutanal, alpha,2,2,6-tetramethyl-

Structural Information

Molecular Formula
C14H24O
SMILES
CC1=CCCC(C1C(C)CCC=O)(C)C
InChI
InChI=1S/C14H24O/c1-11-7-5-9-14(3,4)13(11)12(2)8-6-10-15/h7,10,12-13H,5-6,8-9H2,1-4H3
InChIKey
ACVNYUMGXUDACR-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohex-2-en-1-yl)pentanal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

514
Patents

208.18271 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 149.4
[M+Na]+ 231.17193 155.5
[M-H]- 207.17543 152.6
[M+NH4]+ 226.21653 170.8
[M+K]+ 247.14587 153.6
[M+H-H2O]+ 191.17997 144.6
[M+HCOO]- 253.18091 168.9
[M+CH3COO]- 267.19656 191.0
[M+Na-2H]- 229.15738 151.7
[M]+ 208.18216 149.5
[M]- 208.18326 149.5
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