CID 11676

2,3,3-trimethyl-2-butanol

Structural Information

Molecular Formula
C7H16O
SMILES
CC(C)(C)C(C)(C)O
InChI
InChI=1S/C7H16O/c1-6(2,3)7(4,5)8/h8H,1-5H3
InChIKey
OKXVARYIKDXAEO-UHFFFAOYSA-N
Compound name
2,3,3-trimethylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

952
Patents

116.12012 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.12740 126.0
[M+Na]+ 139.10934 133.5
[M-H]- 115.11284 125.6
[M+NH4]+ 134.15394 148.7
[M+K]+ 155.08328 133.5
[M+H-H2O]+ 99.117380 123.3
[M+HCOO]- 161.11832 145.2
[M+CH3COO]- 175.13397 169.6
[M+Na-2H]- 137.09479 133.6
[M]+ 116.11957 126.3
[M]- 116.12067 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe