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

195
References

10898
Patents

136.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.8
[M+Na]+ 159.114418 140.3
[M-H]- 135.117924 135.8
[M+NH4]+ 154.159023 150.4
[M+K]+ 175.088358 138.5
[M+H-H2O]+ 119.122460 125.3
[M+HCOO]- 181.123401 150.8
[M+CH3COO]- 195.139051 180.5
[M+Na-2H]- 157.099866 137.2
[M]+ 136.12465142 132.1
[M]- 136.12574858 132.1
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