CID 126763942

2-tert-butylcyclobutan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)(C)C1CCC1O
InChI
InChI=1S/C8H16O/c1-8(2,3)6-4-5-7(6)9/h6-7,9H,4-5H2,1-3H3
InChIKey
RKCHBHNJBGMYSG-UHFFFAOYSA-N
Compound name
2-tert-butylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

128.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 127.6
[M+Na]+ 151.10934 133.5
[M-H]- 127.11284 130.2
[M+NH4]+ 146.15394 143.2
[M+K]+ 167.08328 135.7
[M+H-H2O]+ 111.11738 119.0
[M+HCOO]- 173.11832 146.4
[M+CH3COO]- 187.13397 174.9
[M+Na-2H]- 149.09479 133.0
[M]+ 128.11957 134.8
[M]- 128.12067 134.8
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