CID 44145473

94042-77-0

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1=CCC2C(C1C=O)C2(C)C

InChI

InChI=1S/C11H16O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,6,8-10H,5H2,1-3H3

InChIKey

NBJBBGCJHKDPLO-UHFFFAOYSA-N

Compound name

3,7,7-trimethylbicyclo[4.1.0]hept-3-ene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.12012 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.127396	136.2
[M+Na]+	187.109338	147.4
[M-H]-	163.112844	142.3
[M+NH4]+	182.153943	155.8
[M+K]+	203.083278	144.9
[M+H-H2O]+	147.117380	131.8
[M+HCOO]-	209.118321	157.1
[M+CH3COO]-	223.133971	185.5
[M+Na-2H]-	185.094786	142.4
[M]+	164.11957142	140.0
[M]-	164.12066858	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.