CID 55303019

[1-(chloromethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1CC(C1)(CO)CCl
InChI
InChI=1S/C6H11ClO/c7-4-6(5-8)2-1-3-6/h8H,1-5H2
InChIKey
NKGCLLHUUJCSQF-UHFFFAOYSA-N
Compound name
[1-(chloromethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.04984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 121.5
[M+Na]+ 157.039058 128.7
[M-H]- 133.042564 123.9
[M+NH4]+ 152.083663 139.2
[M+K]+ 173.012998 128.6
[M+H-H2O]+ 117.047100 114.6
[M+HCOO]- 179.048041 138.3
[M+CH3COO]- 193.063691 171.7
[M+Na-2H]- 155.024506 129.0
[M]+ 134.04929142 130.2
[M]- 134.05038858 130.2
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.