CID 15447289

(cis-2-methylcyclobutyl)methanol

Structural Information

Molecular Formula
C6H12O
SMILES
C[C@H]1CC[C@H]1CO
InChI
InChI=1S/C6H12O/c1-5-2-3-6(5)4-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
XKJMEEWZNIOOBO-WDSKDSINSA-N
Compound name
[(1R,2S)-2-methylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

100.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 117.5
[M+Na]+ 123.078028 123.7
[M-H]- 99.081534 120.0
[M+NH4]+ 118.122633 133.9
[M+K]+ 139.051968 125.9
[M+H-H2O]+ 83.086070 108.5
[M+HCOO]- 145.087011 138.4
[M+CH3COO]- 159.102661 169.4
[M+Na-2H]- 121.063476 123.4
[M]+ 100.08826142 124.5
[M]- 100.08935858 124.5
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

No patent data available for this compound.