CID 520901

(1-methylcyclobutyl)methanol

Structural Information

Molecular Formula
C6H12O
SMILES
CC1(CCC1)CO
InChI
InChI=1S/C6H12O/c1-6(5-7)3-2-4-6/h7H,2-5H2,1H3
InChIKey
VLBAFQVSLHQELL-UHFFFAOYSA-N
Compound name
(1-methylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

100.08881 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 119.2
[M+Na]+ 123.07803 125.5
[M+NH4]+ 118.12263 125.7
[M+K]+ 139.05197 120.3
[M-H]- 99.081534 117.8
[M+Na-2H]- 121.06348 123.6
[M]+ 100.08826 118.6
[M]- 100.08936 118.6
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