CID 87605

2-ethyl-2-methylbutan-1-ol

Structural Information

Molecular Formula
C7H16O
SMILES
CCC(C)(CC)CO
InChI
InChI=1S/C7H16O/c1-4-7(3,5-2)6-8/h8H,4-6H2,1-3H3
InChIKey
KMWHQWJVSALJAW-UHFFFAOYSA-N
Compound name
2-ethyl-2-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

116.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.127396 127.0
[M+Na]+ 139.109338 133.9
[M-H]- 115.112844 126.1
[M+NH4]+ 134.153943 149.4
[M+K]+ 155.083278 133.4
[M+H-H2O]+ 99.117380 123.5
[M+HCOO]- 161.118321 147.7
[M+CH3COO]- 175.133971 169.9
[M+Na-2H]- 137.094786 133.7
[M]+ 116.11957142 127.8
[M]- 116.12066858 127.8
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