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

3
Patents

142.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 128.4
[M+Na]+ 165.124988 131.1
[M-H]- 141.128494 130.9
[M+NH4]+ 160.169593 149.3
[M+K]+ 181.098928 133.5
[M+H-H2O]+ 125.133030 124.4
[M+HCOO]- 187.133971 146.5
[M+CH3COO]- 201.149621 173.8
[M+Na-2H]- 163.110436 133.9
[M]+ 142.13522142 120.7
[M]- 142.13631858 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