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

313
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 125.4
[M-H]- 99.081534 121.8
[M+NH4]+ 118.12263 137.3
[M+K]+ 139.05197 127.6
[M+H-H2O]+ 83.086070 111.3
[M+HCOO]- 145.08701 140.1
[M+CH3COO]- 159.10266 167.9
[M+Na-2H]- 121.06348 126.7
[M]+ 100.08826 126.1
[M]- 100.08936 126.1
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