CID 44148674

84304-13-2

Structural Information

Molecular Formula
C11H20O
SMILES
CC1CCC2C(C1CO)C2(C)C
InChI
InChI=1S/C11H20O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h7-10,12H,4-6H2,1-3H3
InChIKey
HRQKYZLPDOKAFK-UHFFFAOYSA-N
Compound name
(3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 138.6
[M+Na]+ 191.14063 148.2
[M-H]- 167.14413 142.9
[M+NH4]+ 186.18523 157.4
[M+K]+ 207.11457 145.5
[M+H-H2O]+ 151.14867 134.5
[M+HCOO]- 213.14961 156.4
[M+CH3COO]- 227.16526 184.2
[M+Na-2H]- 189.12608 143.5
[M]+ 168.15086 140.0
[M]- 168.15196 140.0
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.