CID 23534

Cyclamen aldehyde diethyl acetal

Structural Information

Molecular Formula
C17H28O2
SMILES
CCOC(C(C)CC1=CC=C(C=C1)C(C)C)OCC
InChI
InChI=1S/C17H28O2/c1-6-18-17(19-7-2)14(5)12-15-8-10-16(11-9-15)13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKey
YZGBDMRJUNSBTG-UHFFFAOYSA-N
Compound name
1-(3,3-diethoxy-2-methylpropyl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 167.7
[M+Na]+ 287.19814 171.9
[M-H]- 263.20164 170.4
[M+NH4]+ 282.24274 184.5
[M+K]+ 303.17208 170.5
[M+H-H2O]+ 247.20618 160.9
[M+HCOO]- 309.20712 187.1
[M+CH3COO]- 323.22277 203.1
[M+Na-2H]- 285.18359 167.2
[M]+ 264.20837 172.0
[M]- 264.20947 172.0
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