CID 10888100

Trans-chrysanthenol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CC[C@H]2[C@H]([C@@H]1C2(C)C)O
InChI
InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey
IRZWAJHUWGZMMT-DJLDLDEBSA-N
Compound name
(1S,5R,6R)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

152.12012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 144.6
[M+Na]+ 175.109338 151.9
[M-H]- 151.112844 143.6
[M+NH4]+ 170.153943 165.6
[M+K]+ 191.083278 152.3
[M+H-H2O]+ 135.117380 137.4
[M+HCOO]- 197.118321 157.9
[M+CH3COO]- 211.133971 185.0
[M+Na-2H]- 173.094786 153.7
[M]+ 152.11957142 156.5
[M]- 152.12066858 156.5
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