CID 78249

(+)-2-carene

Structural Information

Molecular Formula
C10H16
SMILES
CC1=C[C@H]2[C@H](C2(C)C)CC1
InChI
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m1/s1
InChIKey
IBVJWOMJGCHRRW-BDAKNGLRSA-N
Compound name
(1S,6R)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

988
Patents

136.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.