CID 71758480

(1-methylcycloheptyl)methanol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1(CCCCCC1)CO
InChI
InChI=1S/C9H18O/c1-9(8-10)6-4-2-3-5-7-9/h10H,2-8H2,1H3
InChIKey
QSBHAGWVTQJGHR-UHFFFAOYSA-N
Compound name
(1-methylcycloheptyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

142.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 128.4
[M+Na]+ 165.12499 131.1
[M-H]- 141.12849 130.9
[M+NH4]+ 160.16959 149.3
[M+K]+ 181.09893 133.5
[M+H-H2O]+ 125.13303 124.4
[M+HCOO]- 187.13397 146.5
[M+CH3COO]- 201.14962 173.8
[M+Na-2H]- 163.11044 133.9
[M]+ 142.13522 120.7
[M]- 142.13632 120.7
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