CID 129775894

(1s,6r)-3-caren-10-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1([C@H]2[C@@H]1CC(=CC2)CO)C
InChI
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,8-9,11H,4-6H2,1-2H3/t8-,9+/m1/s1
InChIKey
BLWHTASVUYWISZ-BDAKNGLRSA-N
Compound name
[(1S,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-3-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.12012 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.3
[M+Na]+ 175.10934 143.5
[M-H]- 151.11284 137.9
[M+NH4]+ 170.15394 152.5
[M+K]+ 191.08328 140.9
[M+H-H2O]+ 135.11738 129.1
[M+HCOO]- 197.11832 153.0
[M+CH3COO]- 211.13397 179.8
[M+Na-2H]- 173.09479 140.3
[M]+ 152.11957 135.4
[M]- 152.12067 135.4
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