CID 26049

3-carene

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CC1=CCC2C(C1)C2(C)C

InChI

InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

InChIKey

BQOFWKZOCNGFEC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 196
References: 12516
Patents: 136.1252 Da
Monoisotopic Mass: 2.8
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]+	137.13248	129.8
[M+Na]+	159.11442	140.3
[M-H]-	135.11792	135.8
[M+NH4]+	154.15902	150.4
[M+K]+	175.08836	138.5
[M+H-H2O]+	119.12246	125.3
[M+HCOO]-	181.12340	150.8
[M+CH3COO]-	195.13905	180.5
[M+Na-2H]-	157.09987	137.2
[M]+	136.12465	132.1
[M]-	136.12575	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe