CID 86114

110458-85-0

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=C(C2(CC1CC2CO)C(=C)C)C
InChI
InChI=1S/C13H20O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h11-12,14H,1,5-7H2,2-4H3
InChIKey
MLDAJXVVSUEALX-UHFFFAOYSA-N
Compound name
(5,6-dimethyl-1-prop-1-en-2-yl-2-bicyclo[2.2.1]hept-5-enyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

192.15141 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 147.2
[M+Na]+ 215.14063 155.8
[M-H]- 191.14413 149.3
[M+NH4]+ 210.18523 174.0
[M+K]+ 231.11457 152.1
[M+H-H2O]+ 175.14867 144.5
[M+HCOO]- 237.14961 166.4
[M+CH3COO]- 251.16526 185.5
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 147.4
[M]- 192.15196 147.4
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

patents stripe