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]+ 101.096086 119.2
[M+Na]+ 123.078028 125.4
[M-H]- 99.081534 121.8
[M+NH4]+ 118.122633 137.3
[M+K]+ 139.051968 127.6
[M+H-H2O]+ 83.086070 111.3
[M+HCOO]- 145.087011 140.1
[M+CH3COO]- 159.102661 167.9
[M+Na-2H]- 121.063476 126.7
[M]+ 100.08826142 126.1
[M]- 100.08935858 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