CID 6365609

Einecs 265-454-6

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CCC(C1(C)C)C/C=C(\C)/C=O
InChI
InChI=1S/C13H20O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,9,12H,7-8H2,1-4H3/b10-5+
InChIKey
AAPLYDDEQVREDC-BJMVGYQFSA-N
Compound name
(E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

192.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 144.2
[M+Na]+ 215.14063 152.1
[M-H]- 191.14413 148.0
[M+NH4]+ 210.18523 168.2
[M+K]+ 231.11457 149.5
[M+H-H2O]+ 175.14867 140.2
[M+HCOO]- 237.14961 166.4
[M+CH3COO]- 251.16526 186.2
[M+Na-2H]- 213.12608 145.9
[M]+ 192.15086 145.3
[M]- 192.15196 145.3
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